CHLOROGENIC ACID

CAS No.
6001-76-9 ;327-97-9
CCD No.
CCD00003697
Formula
C16 H18 O9
MolWeight
354.309

Basic Information

Product Name: CHLOROGENIC ACID
CAS: 6001-76-9 ;327-97-9
English Synonyms: (-)-CHLOROGENIC ACID ; CHLOROGENIC ACID HEMIHYDRATE ; (E)-CHLOROGENIC ACID ; HELIANTHIC ACID ; (1S,3R,4R,5R)-3-[[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL]OXY]-1,4,5-TRIHYDROXYCYCLOHEXANECARBOXYLIC ACID ; 3-O-(3,4-DIHYDROXYCINNAMOYL)-D-QUINIC ACID ; CAFFEOLYQUINIC ACID ; 3R-[[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL]OXY]-1S,4R,5R-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID ; 3-O-CAFFEOYLQUINIC ACID ; CAFFETANNIC ACID ; CHLOROGENIC ACID-TRANS ; 3-CAFFEOYLQUINIC ACID ; 1,3,4,5-TETRAHYDROXYCYCLOHEXANECARBOXYLIC ACID 3-(3,4-DIHYDROXYCINNAMATE) ; CHLOROGENIC ACID ; 3-(3,4-DIHYDROXYCINNAMOYL)QUINIC ACID ; (1S,3R,4R,5R)-3-[(E)-3-(3,4-DIHYDROXY-PHENYL)-ACRYLOYLOXY]-1,4,5-TRIHYDROXY-CYCLOHEXANECARBOXYLIC ACID ; ISOCHLOROGENIC ACID ; 5-(3,4-DIHYDROXYCINNAMOYL)-D-(-)-QUINIC ACID ; 3-(3,4-DIHYDROXYCINNAMOYL)-D(-)-QUINIC ACID
MDL Number.: MFCD00003862
H bond acceptor: 9
H bond donor: 6
Smile: c1cc(c(cc1/C=C/C(=O)O[C@@H]2C[C@@](C[C@H]([C@H]2O)O)(C(=O)O)O)O)O
InChi: InChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/b4-2+/t11-,12-,14-,16+/m1/s1
InChiKey: InChIKey=CWVRJTMFETXNAD-JUHZACGLSA-N

Property

Melting Point: 210 DEG C (DEC)(LIT)/210℃
Comments: ASSAY METHOD: TITRATION
CAUTION: MAY YIELD A HAZY SOLUTION IN ETHANOL
UNSPSC: 12352100
WGK: 3

Safety information

Safe Code: S:S24/25;
WGK Germany: 3

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