Chlorogenic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C16H18O9
IUPAC Name (1s,3r,4r,5r)-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid
Molecular Mass 354.309 g·mol−1
Heat of Formation -1559.4 ± 16.7 kJ·mol−1
Dipole Moment 6.06 ± 1.08 D
Volume 385.71 Å 3
Surface Area 346.18 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3r,4r,5r)-3-[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid
  • (1s,3r,4r,5r)-3-[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid
  • (1s,3r,4r,5r)-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid
  • (1s,3r,4r,5r)-3-[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid
  • (1s,3r,4r,5r)-3-[3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]-1,4,5-trihydroxy-1-cyclohexanecarboxylic acid
  • (1s,3r,4r,5r)-3-[3-(3,4-dihydroxyphenyl)acryloyl]oxy-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid
  • (1s,3r,4r,5r)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxy-cyclohexane-1-carboxylic acid
  • (1s,3r,4r,5r)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexane-1-carboxylic acid
  • (1s,3r,4r,5r)-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
  • 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate
  • 1,3,4,5-tetrahydroxycyclohexanecarboxylic acid 3-(3,4-dihydroxycinnamate)
  • 3-(3,4-dihydroxycinnamoyl)quinic acid
  • 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy] 1,4,5-trihydroxycyclohexanecarboxylic acid
  • 3-caffeoylquinic acid
  • 3-o-(3,4-dihydroxycinnamoyl)-d-quinic acid
  • 3-o-caffeoylquinic acid
  • 5-o-(3,4-dihydroxycinnamoyl)-l-quinic acid
  • [1s-(1alpha,3beta,4alpha,5alpha)]-3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
  • [1s-(1alpha,3beta,4alpha,5alpha)]3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
  • bb_nc-1939
  • bpbio1_000456
  • caffeoyl quinic acid
  • chlorogenate
  • chlorogenic acid (8ci)
  • cyclohexanecarboxylic acid, 3-((3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-1,4,5-trihydroxy-, (1s-(1-alpha,3-beta,4-alpha,5-alpha))-
  • cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, (1s,3r,4r,5r)-
  • cyclohexanecarboxylic acid, 3-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-1,4,5-trihydroxy-, [1s-(1alpha,3beta,4alpha,5alpha)]-
  • hlorogenic acid
  • sdccgmls-0066467.p001
  • smp1_000066
  • trans-5-o-caffeoyl-d-quinate
CAS Number(s)
  • 202650-88-2
  • 327-97-9
InChIKey CWVRJTMFETXNAD-JUHZACGLSA-N
QR Code Generate QR Code
Links PubChem Wikipedia ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O