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Benzodioxoles

Benzodioxoles

Aromatic organic heterocyclic compounds that consist of a benzene containing the methylenedioxy functional group; methylenedioxy functional groups have two oxygen atoms connected to a methylene bridge.
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1 – 15 of 73 results
1

3,4-(Methylenedioxy)benzyl alcohol, 98%

CAS: 495-76-1 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00005836 InChI Key: BHUIUXNAPJIDOG-UHFFFAOYSA-N Synonym: piperonyl alcohol,piperonol,1,3-benzodioxole-5-methanol,3,4-methylenedioxybenzyl alcohol,benzo d 1,3 dioxol-5-ylmethanol,piperonylalcohol,5-hydroxymethyl-1,3-benzodioxole,1-hydroxymethyl-3,4-methylenedioxybenzene,benzo 1,3 dioxol-5-ylmethanol,3,4-methylenedioxy phenylmethanol PubChem CID: 10322 IUPAC Name: 1,3-benzodioxol-5-ylmethanol SMILES: C1OC2=C(O1)C=C(C=C2)CO

PubChem CID 10322
CAS 495-76-1
Molecular Weight (g/mol) 152.149
MDL Number MFCD00005836
SMILES C1OC2=C(O1)C=C(C=C2)CO
Synonym piperonyl alcohol,piperonol,1,3-benzodioxole-5-methanol,3,4-methylenedioxybenzyl alcohol,benzo d 1,3 dioxol-5-ylmethanol,piperonylalcohol,5-hydroxymethyl-1,3-benzodioxole,1-hydroxymethyl-3,4-methylenedioxybenzene,benzo 1,3 dioxol-5-ylmethanol,3,4-methylenedioxy phenylmethanol
IUPAC Name 1,3-benzodioxol-5-ylmethanol
InChI Key BHUIUXNAPJIDOG-UHFFFAOYSA-N
Molecular Formula C8H8O3
2

6-Bromopiperonal, 98%

CAS: 15930-53-7 Molecular Formula: C8H5BrO3 Molecular Weight (g/mol): 229.03 MDL Number: MFCD00022952 InChI Key: CSQUXTSIDQURDV-UHFFFAOYSA-N Synonym: 6-bromopiperonal,6-bromo-benzo 1,3 dioxole-5-carbaldehyde,2-bromo-4,5-methylenedioxybenzaldehyde,piperonal, 6-bromo,6-bromobenzo d 1,3 dioxole-5-carbaldehyde,6-bromo-1,3-benzodioxole-5-carboxaldehyde,6-bromo-2h-1,3-benzodioxole-5-carbaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-bromo,6-bromobenzo 1,3 dioxole-5-carbaldehyde,benzaldehyde, 2-bromo-4,5-methylenedioxy PubChem CID: 95062 SMILES: BrC1=CC2=C(OCO2)C=C1C=O

PubChem CID 95062
CAS 15930-53-7
Molecular Weight (g/mol) 229.03
MDL Number MFCD00022952
SMILES BrC1=CC2=C(OCO2)C=C1C=O
Synonym 6-bromopiperonal,6-bromo-benzo 1,3 dioxole-5-carbaldehyde,2-bromo-4,5-methylenedioxybenzaldehyde,piperonal, 6-bromo,6-bromobenzo d 1,3 dioxole-5-carbaldehyde,6-bromo-1,3-benzodioxole-5-carboxaldehyde,6-bromo-2h-1,3-benzodioxole-5-carbaldehyde,1,3-benzodioxole-5-carboxaldehyde, 6-bromo,6-bromobenzo 1,3 dioxole-5-carbaldehyde,benzaldehyde, 2-bromo-4,5-methylenedioxy
InChI Key CSQUXTSIDQURDV-UHFFFAOYSA-N
Molecular Formula C8H5BrO3
3

4-Bromo-1,2-(methylenedioxy)benzene, 98%

CAS: 2635-13-4 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.02 MDL Number: MFCD00005821 InChI Key: FBOYMIDCHINJKC-UHFFFAOYSA-N Synonym: 4-bromo-1,2-methylenedioxy benzene,5-bromobenzo d 1,3 dioxole,4-bromo-1,2-methylenedioxybenzene,1-bromo-3,4-methylenedioxy benzene,3,4-methylenedioxybromobenzene,5-bromo-2h-1,3-benzodioxole,5-bromobenzo-1,3-dioxole,5-bromo-benzo 1,3 dioxole,1,3-benzodioxole, 5-bromo,3,4-methylenedioxy bromobenzene PubChem CID: 75831 SMILES: BrC1=CC=C2OCOC2=C1

PubChem CID 75831
CAS 2635-13-4
Molecular Weight (g/mol) 201.02
MDL Number MFCD00005821
SMILES BrC1=CC=C2OCOC2=C1
Synonym 4-bromo-1,2-methylenedioxy benzene,5-bromobenzo d 1,3 dioxole,4-bromo-1,2-methylenedioxybenzene,1-bromo-3,4-methylenedioxy benzene,3,4-methylenedioxybromobenzene,5-bromo-2h-1,3-benzodioxole,5-bromobenzo-1,3-dioxole,5-bromo-benzo 1,3 dioxole,1,3-benzodioxole, 5-bromo,3,4-methylenedioxy bromobenzene
InChI Key FBOYMIDCHINJKC-UHFFFAOYSA-N
Molecular Formula C7H5BrO2
4

6-Nitropiperonyl alcohol, 98+%

CAS: 15341-08-9 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.15 MDL Number: MFCD00005825 InChI Key: LJXBRPHBDWIHPR-UHFFFAOYSA-N Synonym: 6-nitropiperonyl alcohol,6-nitrobenzo d 1,3 dioxol-5-yl methanol,3,4-methylenedioxy-6-nitrobenzyl alcohol,6-nitro-3,4-methylenedioxybenzyl alcohol,6-nitro-1,3-benzodioxol-5-yl methanol,6-nitro-2h-1,3-benzodioxol-5-yl methanol,6-nitro-1,3-benzodioxole-5-methanol,1,3-benzodioxole-5-methanol,6-nitro,1,3-benzodioxole-5-methanol, 6-nitro,6-nitro-1,3-benzodioxol-5-yl methanol # PubChem CID: 519111 IUPAC Name: (5-nitro-2H-1,3-benzodioxol-4-yl)methanol SMILES: OCC1=C2OCOC2=CC=C1[N+]([O-])=O

PubChem CID 519111
CAS 15341-08-9
Molecular Weight (g/mol) 197.15
MDL Number MFCD00005825
SMILES OCC1=C2OCOC2=CC=C1[N+]([O-])=O
Synonym 6-nitropiperonyl alcohol,6-nitrobenzo d 1,3 dioxol-5-yl methanol,3,4-methylenedioxy-6-nitrobenzyl alcohol,6-nitro-3,4-methylenedioxybenzyl alcohol,6-nitro-1,3-benzodioxol-5-yl methanol,6-nitro-2h-1,3-benzodioxol-5-yl methanol,6-nitro-1,3-benzodioxole-5-methanol,1,3-benzodioxole-5-methanol,6-nitro,1,3-benzodioxole-5-methanol, 6-nitro,6-nitro-1,3-benzodioxol-5-yl methanol #
IUPAC Name (5-nitro-2H-1,3-benzodioxol-4-yl)methanol
InChI Key LJXBRPHBDWIHPR-UHFFFAOYSA-N
Molecular Formula C8H7NO5
5

Sesamol, 98%

CAS: 533-31-3 Molecular Formula: C7H6O3 Molecular Weight (g/mol): 138.122 MDL Number: MFCD00005827 InChI Key: LUSZGTFNYDARNI-UHFFFAOYSA-N Synonym: sesamol,3,4-methylenedioxy phenol,5-hydroxy-1,3-benzodioxole,3,4-methylenedioxyphenol,2h-1,3-benzodioxol-5-ol,3,4-methylendioxyphenol,methylene ether of oxyhydroquinone,phenol, 3,4-methylenedioxy,5-benzodioxolol,unii-94iea0nv89 PubChem CID: 68289 ChEBI: CHEBI:9126 IUPAC Name: 1,3-benzodioxol-5-ol SMILES: C1OC2=C(O1)C=C(C=C2)O

PubChem CID 68289
CAS 533-31-3
Molecular Weight (g/mol) 138.122
ChEBI CHEBI:9126
MDL Number MFCD00005827
SMILES C1OC2=C(O1)C=C(C=C2)O
Synonym sesamol,3,4-methylenedioxy phenol,5-hydroxy-1,3-benzodioxole,3,4-methylenedioxyphenol,2h-1,3-benzodioxol-5-ol,3,4-methylendioxyphenol,methylene ether of oxyhydroquinone,phenol, 3,4-methylenedioxy,5-benzodioxolol,unii-94iea0nv89
IUPAC Name 1,3-benzodioxol-5-ol
InChI Key LUSZGTFNYDARNI-UHFFFAOYSA-N
Molecular Formula C7H6O3
6

3,4-(Methylenedioxy)phenylacetic acid, 98%

CAS: 2861-28-1 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00014576 InChI Key: ODVLMCWNGKLROU-UHFFFAOYSA-N Synonym: 1,3-benzodioxole-5-acetic acid,3,4-methylenedioxy phenylacetic acid,2-benzo d 1,3 dioxol-5-yl acetic acid,3,4-methylenedioxyphenylacetic acid,homopiperonylic acid,benzo-1,3-dioxole-5-acetic acid,1,3-benzodioxol-5-yl acetic acid,2-2h-1,3-benzodioxol-5-yl acetic acid,2-1,3-benzodioxol-5-yl acetic acid,1,3-benzodioxol-5-ylacetic acid PubChem CID: 76115 IUPAC Name: 2-(1,3-benzodioxol-5-yl)acetic acid SMILES: C1OC2=C(O1)C=C(C=C2)CC(=O)O

PubChem CID 76115
CAS 2861-28-1
Molecular Weight (g/mol) 180.159
MDL Number MFCD00014576
SMILES C1OC2=C(O1)C=C(C=C2)CC(=O)O
Synonym 1,3-benzodioxole-5-acetic acid,3,4-methylenedioxy phenylacetic acid,2-benzo d 1,3 dioxol-5-yl acetic acid,3,4-methylenedioxyphenylacetic acid,homopiperonylic acid,benzo-1,3-dioxole-5-acetic acid,1,3-benzodioxol-5-yl acetic acid,2-2h-1,3-benzodioxol-5-yl acetic acid,2-1,3-benzodioxol-5-yl acetic acid,1,3-benzodioxol-5-ylacetic acid
IUPAC Name 2-(1,3-benzodioxol-5-yl)acetic acid
InChI Key ODVLMCWNGKLROU-UHFFFAOYSA-N
Molecular Formula C9H8O4
7

2,2-Difluoro-1,3-benzodioxole, 97%

CAS: 1583-59-1 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.10 MDL Number: MFCD00236217 InChI Key: DGCOGZQDAXUUBY-UHFFFAOYSA-N Synonym: 2,2-difluorobenzo d 1,3 dioxole,2,2-difluorobenzodioxole,2,2-difluoro-2h-1,3-benzodioxole,1,2-difluoromethylenedioxy benzene,2,2-difluoro-benzodioxole,2,2-difluoro-benzo 1,3 dioxole,1,3-benzodioxole, 2,2-difluoro,pubchem17570,acmc-1bus1,ksc491c9d PubChem CID: 74103 IUPAC Name: 2,2-difluoro-2H-1,3-benzodioxole SMILES: FC1(F)OC2=CC=CC=C2O1

PubChem CID 74103
CAS 1583-59-1
Molecular Weight (g/mol) 158.10
MDL Number MFCD00236217
SMILES FC1(F)OC2=CC=CC=C2O1
Synonym 2,2-difluorobenzo d 1,3 dioxole,2,2-difluorobenzodioxole,2,2-difluoro-2h-1,3-benzodioxole,1,2-difluoromethylenedioxy benzene,2,2-difluoro-benzodioxole,2,2-difluoro-benzo 1,3 dioxole,1,3-benzodioxole, 2,2-difluoro,pubchem17570,acmc-1bus1,ksc491c9d
IUPAC Name 2,2-difluoro-2H-1,3-benzodioxole
InChI Key DGCOGZQDAXUUBY-UHFFFAOYSA-N
Molecular Formula C7H4F2O2
8

5-Chloro-1,3-benzodioxole, 98%

CAS: 7228-38-8 Molecular Formula: C7H5ClO2 Molecular Weight (g/mol): 156.565 MDL Number: MFCD00010842 InChI Key: ODQPZHOXLYATLC-UHFFFAOYSA-N PubChem CID: 138966 IUPAC Name: 5-chloro-1,3-benzodioxole SMILES: C1OC2=C(O1)C=C(C=C2)Cl

PubChem CID 138966
CAS 7228-38-8
Molecular Weight (g/mol) 156.565
MDL Number MFCD00010842
SMILES C1OC2=C(O1)C=C(C=C2)Cl
IUPAC Name 5-chloro-1,3-benzodioxole
InChI Key ODQPZHOXLYATLC-UHFFFAOYSA-N
Molecular Formula C7H5ClO2
9

4-Amino-2,2-difluoro-1,3-benzodioxole, 97+%

CAS: 106876-54-4 Molecular Formula: C7H5F2NO2 Molecular Weight (g/mol): 173.12 MDL Number: MFCD00792416 InChI Key: RXIKYXZKSIARLN-UHFFFAOYSA-N Synonym: 4-amino-2,2-difluoro-1,3-benzodioxole,2,2-difluorobenzo d 1,3 dioxol-4-amine,2,3-difluoromethylenedioxy aniline,2,2-difluoro-4-amino-1,3-benzodioxole,1,3-benzodioxol-4-amine, 2,2-difluoro,2,2-difluoro-2h-1,3-benzodioxol-4-amine,2,2-difluoro-benzo 1,3 dioxol-4-ylamine,2,3-difluoromethylenedioxy-aniline,acmc-1btze,2,2-difluoro-1,3-benzodioxole-4-amine PubChem CID: 2736891 IUPAC Name: 2,2-difluoro-2H-1,3-benzodioxol-4-amine SMILES: NC1=CC=CC2=C1OC(F)(F)O2

PubChem CID 2736891
CAS 106876-54-4
Molecular Weight (g/mol) 173.12
MDL Number MFCD00792416
SMILES NC1=CC=CC2=C1OC(F)(F)O2
Synonym 4-amino-2,2-difluoro-1,3-benzodioxole,2,2-difluorobenzo d 1,3 dioxol-4-amine,2,3-difluoromethylenedioxy aniline,2,2-difluoro-4-amino-1,3-benzodioxole,1,3-benzodioxol-4-amine, 2,2-difluoro,2,2-difluoro-2h-1,3-benzodioxol-4-amine,2,2-difluoro-benzo 1,3 dioxol-4-ylamine,2,3-difluoromethylenedioxy-aniline,acmc-1btze,2,2-difluoro-1,3-benzodioxole-4-amine
IUPAC Name 2,2-difluoro-2H-1,3-benzodioxol-4-amine
InChI Key RXIKYXZKSIARLN-UHFFFAOYSA-N
Molecular Formula C7H5F2NO2
10

Piperonylic acid, 98+%

CAS: 94-53-1 Molecular Formula: C8H6O4 Molecular Weight (g/mol): 166.13 MDL Number: MFCD00005830 InChI Key: VDVJGIYXDVPQLP-UHFFFAOYSA-N Synonym: piperonylic acid,heliotropic acid,3,4-methylenedioxybenzoic acid,benzo d 1,3 dioxole-5-carboxylic acid,2h-1,3-benzodioxole-5-carboxylic acid,benzo 1,3 dioxole-5-carboxylic acid,protocatechuic acid methylene ether,5-benzodioxolecarboxylic acid,3,4-dioxymethylenebenzoic acid,3,4-methylene dioxybenzoic acid PubChem CID: 7196 IUPAC Name: 1,3-benzodioxole-5-carboxylic acid SMILES: OC(=O)C1=CC=C2OCOC2=C1

PubChem CID 7196
CAS 94-53-1
Molecular Weight (g/mol) 166.13
MDL Number MFCD00005830
SMILES OC(=O)C1=CC=C2OCOC2=C1
Synonym piperonylic acid,heliotropic acid,3,4-methylenedioxybenzoic acid,benzo d 1,3 dioxole-5-carboxylic acid,2h-1,3-benzodioxole-5-carboxylic acid,benzo 1,3 dioxole-5-carboxylic acid,protocatechuic acid methylene ether,5-benzodioxolecarboxylic acid,3,4-dioxymethylenebenzoic acid,3,4-methylene dioxybenzoic acid
IUPAC Name 1,3-benzodioxole-5-carboxylic acid
InChI Key VDVJGIYXDVPQLP-UHFFFAOYSA-N
Molecular Formula C8H6O4
11

3,4-(Methylenedioxy)aniline, 98+%

CAS: 14268-66-7 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00005832 InChI Key: XGNXYCFREOZBOL-UHFFFAOYSA-N Synonym: 3,4-methylenedioxy aniline,benzo d 1,3 dioxol-5-amine,5-amino-1,3-benzodioxole,3,4-methylenedioxyaniline,4-amino-1,2-methylenedioxybenzene,5-aminobenzodioxole,methylenedioxyaniline,2h-1,3-benzodioxol-5-amine,1-amino-3,4-methylenedioxybenzene,1-amino-3,4-dimethylenedioxybenzene PubChem CID: 84310 IUPAC Name: 1,3-benzodioxol-5-amine SMILES: C1OC2=C(O1)C=C(C=C2)N

PubChem CID 84310
CAS 14268-66-7
Molecular Weight (g/mol) 137.138
MDL Number MFCD00005832
SMILES C1OC2=C(O1)C=C(C=C2)N
Synonym 3,4-methylenedioxy aniline,benzo d 1,3 dioxol-5-amine,5-amino-1,3-benzodioxole,3,4-methylenedioxyaniline,4-amino-1,2-methylenedioxybenzene,5-aminobenzodioxole,methylenedioxyaniline,2h-1,3-benzodioxol-5-amine,1-amino-3,4-methylenedioxybenzene,1-amino-3,4-dimethylenedioxybenzene
IUPAC Name 1,3-benzodioxol-5-amine
InChI Key XGNXYCFREOZBOL-UHFFFAOYSA-N
Molecular Formula C7H7NO2
12

1,3-Benzodioxole, 99%

CAS: 274-09-9 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00005818 InChI Key: FTNJQNQLEGKTGD-UHFFFAOYSA-N Synonym: 1,2-methylenedioxybenzene,benzodioxole,benzo d 1,3 dioxole,1,3-dioxaindan,3,4-methylenedioxybenzene,2h-1,3-benzodioxole,1,2-methylenedioxy benzene,1,3-dioxindan,methylenedioxybenzene,o-methylenedioxy benzene PubChem CID: 9229 ChEBI: CHEBI:38732 IUPAC Name: 1,3-benzodioxole SMILES: C1OC2=CC=CC=C2O1

PubChem CID 9229
CAS 274-09-9
Molecular Weight (g/mol) 122.123
ChEBI CHEBI:38732
MDL Number MFCD00005818
SMILES C1OC2=CC=CC=C2O1
Synonym 1,2-methylenedioxybenzene,benzodioxole,benzo d 1,3 dioxole,1,3-dioxaindan,3,4-methylenedioxybenzene,2h-1,3-benzodioxole,1,2-methylenedioxy benzene,1,3-dioxindan,methylenedioxybenzene,o-methylenedioxy benzene
IUPAC Name 1,3-benzodioxole
InChI Key FTNJQNQLEGKTGD-UHFFFAOYSA-N
Molecular Formula C7H6O2
13

4-Hydroxy-3-methoxybenzonitrile, 98%

CAS: 4421-08-3 MDL Number: MFCD00001820

CAS 4421-08-3
MDL Number MFCD00001820
14

5-Bromo-2,2-difluoro-1,3-benzodioxole, 97%

CAS: 33070-32-5 Molecular Formula: C7H3BrF2O2 Molecular Weight (g/mol): 237 MDL Number: MFCD00236212 InChI Key: SZRHWHHXVXSGMT-UHFFFAOYSA-N Synonym: 5-bromo-2,2-difluorobenzodioxole,5-bromo-2,2-difluoro-2h-1,3-benzodioxole,5-bromo-2,2-difluorobenzo d 1,3 dioxole,5-bromo-2,2-difluoro-benzo 1,3 dioxole,1,3-benzodioxole, 5-bromo-2,2-difluoro,4-bromo-1,2-difluoromethylenedioxy benzene,5-bromo-2,2-difluorobenzo d 1,3-dioxolene,acmc-209hy8,5-bromo2,2-difluoro-1,3-benzodioxole,2,2-difluoro-5-bromo-1,3-benzodioxole PubChem CID: 2736271 IUPAC Name: 5-bromo-2,2-difluoro-1,3-benzodioxole SMILES: C1=CC2=C(C=C1Br)OC(O2)(F)F

PubChem CID 2736271
CAS 33070-32-5
Molecular Weight (g/mol) 237
MDL Number MFCD00236212
SMILES C1=CC2=C(C=C1Br)OC(O2)(F)F
Synonym 5-bromo-2,2-difluorobenzodioxole,5-bromo-2,2-difluoro-2h-1,3-benzodioxole,5-bromo-2,2-difluorobenzo d 1,3 dioxole,5-bromo-2,2-difluoro-benzo 1,3 dioxole,1,3-benzodioxole, 5-bromo-2,2-difluoro,4-bromo-1,2-difluoromethylenedioxy benzene,5-bromo-2,2-difluorobenzo d 1,3-dioxolene,acmc-209hy8,5-bromo2,2-difluoro-1,3-benzodioxole,2,2-difluoro-5-bromo-1,3-benzodioxole
IUPAC Name 5-bromo-2,2-difluoro-1,3-benzodioxole
InChI Key SZRHWHHXVXSGMT-UHFFFAOYSA-N
Molecular Formula C7H3BrF2O2
15

2,2-Difluoro-1,3-benzodioxole-4-carboxylic acid, 97%

CAS: 126120-85-2 Molecular Formula: C8H4F2O4 Molecular Weight (g/mol): 202.113 MDL Number: MFCD01631473 InChI Key: ZGAQVJDFFVTWJK-UHFFFAOYSA-N Synonym: 2,2-difluorobenzo d 1,3 dioxole-4-carboxylic acid,2,2-difluoro-2h-1,3-benzodioxole-4-carboxylic acid,2,2-difluoro-1,3-benzodioxole-4-carboxylicacid,2,2-difluoro-benzo 1,3 dioxole-4-carboxylic acid,2,2-difluorobenzo d 1,3-dioxolene-4-carboxylic acid,acmc-1c3im,1,3-benzodioxole-4-carboxylicacid, 2,2-difluoro,2,2-bis fluoranyl-1,3-benzodioxole-4-carboxylic acid,2,2-difluoro-1,3-benzodioxole-4-carboxylic acid PubChem CID: 2774067 IUPAC Name: 2,2-difluoro-1,3-benzodioxole-4-carboxylic acid SMILES: C1=CC(=C2C(=C1)OC(O2)(F)F)C(=O)O

PubChem CID 2774067
CAS 126120-85-2
Molecular Weight (g/mol) 202.113
MDL Number MFCD01631473
SMILES C1=CC(=C2C(=C1)OC(O2)(F)F)C(=O)O
Synonym 2,2-difluorobenzo d 1,3 dioxole-4-carboxylic acid,2,2-difluoro-2h-1,3-benzodioxole-4-carboxylic acid,2,2-difluoro-1,3-benzodioxole-4-carboxylicacid,2,2-difluoro-benzo 1,3 dioxole-4-carboxylic acid,2,2-difluorobenzo d 1,3-dioxolene-4-carboxylic acid,acmc-1c3im,1,3-benzodioxole-4-carboxylicacid, 2,2-difluoro,2,2-bis fluoranyl-1,3-benzodioxole-4-carboxylic acid,2,2-difluoro-1,3-benzodioxole-4-carboxylic acid
IUPAC Name 2,2-difluoro-1,3-benzodioxole-4-carboxylic acid
InChI Key ZGAQVJDFFVTWJK-UHFFFAOYSA-N
Molecular Formula C8H4F2O4