CAS Registry Number®
327-97-9
CAS Name
Chlorogenic acid
Molecular Formula
C16H18O9
Molecular Mass
354.31
Compound Properties
-
Melting Point (1)
206-207 °C
Source(s)
- (1) Gorter, K.; Bull. Dept. Agr. Indes Nierland, (1907), (14), 162, CAplus
Other Names and Identifiers
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)/t11-,12-,14-,16+/m1/s1
InChIKey
InChIKey=CWVRJTMFETXNAD-NCZKRNLISA-N
SMILES
O(C(C=CC1=CC(O)=C(O)C=C1)=O)[C@@H]2C[C@@](C(O)=O)(O)C[C@@H](O)[C@H]2O
Canonical SMILES
O=C(O)C1(O)CC(O)C(O)C(OC(=O)C=CC2=CC=C(O)C(O)=C2)C1
Other Names for this Substance
- Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
- Chlorogenic acid
- Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1S-(1α,3β,4α,5α)]-
- Cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1S,3R,4R,5R)-
- (1S,3R,4R,5R)-3-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
- 3-Caffeoylquinic acid
- 3-O-Caffeoylquinic acid
- 3-(3,4-Dihydroxycinnamoyl)quinic acid
- Caffeoylquinic acid
- 3-O-(3,4-Dihydroxycinnamoyl)-D-quinic acid
- NSC 407296
- Heriguard
- NSC 70861
- SW 85834
- 5-Chlorogenic acid
- MeSH ID: D002726
Deleted or Replaced CAS Registry Numbers
108657-60-9, 12626-41-4, 15076-00-3, 16310-14-8, 16431-26-8, 16431-25-7
