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Thermo Scientific Chemicals Chlorogenic acid, 98%

CAS: 327-97-9 | C16H18O9 | 354.31 g/mol

$174.05 - $174.05

Chemical Identifiers

CAS 327-97-9
Molecular Formula C16H18O9
Molecular Weight (g/mol) 354.31
MDL Number MFCD00003862
InChI Key CWVRJTMFETXNAD-JUHZACGLSA-N
Synonym chlorogenic acid, 3-caffeoylquinic acid, chlorogenate, 3-o-caffeoylquinic acid, 3-3,4-dihydroxycinnamoyl quinic acid, heriguard, hlorogenic acid, caffeoyl quinic acid, 3-caffeoylquinate, unii-318adp12ri
PubChem CID 1794427
ChEBI CHEBI:16112
IUPAC Name (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
SMILES O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
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AC109240010
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Thermo Scientific Chemicals
109240010
1 g Glass bottle
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Description

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

327-97-9
354.31
CWVRJTMFETXNAD-JUHZACGLSA-N
1794427
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
C16H18O9
MFCD00003862
chlorogenic acid, 3-caffeoylquinic acid, chlorogenate, 3-o-caffeoylquinic acid, 3-3,4-dihydroxycinnamoyl quinic acid, heriguard, hlorogenic acid, caffeoyl quinic acid, 3-caffeoylquinate, unii-318adp12ri
CHEBI:16112
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O

Specifications

327-97-9
White
97.5% min. (HPLC)
C16H18O9
1 g
15, 2143
chlorogenic acid, 3-caffeoylquinic acid, chlorogenate, 3-o-caffeoylquinic acid, 3-3,4-dihydroxycinnamoyl quinic acid, heriguard, hlorogenic acid, caffeoyl quinic acid, 3-caffeoylquinate, unii-318adp12ri
CWVRJTMFETXNAD-JUHZACGLSA-N
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
1794427
354.3
Crystals, Powder, Needles or Chunks
205.0°C to 209.0°C
Authentic
Glass bottle
MFCD00003862
10, I, 271
-36
Solubility in water: soluble in hot water. Other solubilities: soluble in alcohol and acetone
O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\C2=CC=C(O)C(O)=C2)[C@@H]1O)C(O)=O
354.31
CHEBI:16112
98%
Chlorogenic acid, Predominantly trans, From coffee seeds
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