Chicoric Acid

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Properties Simple | Detailed

Formula C22H18O12
IUPAC Name (2s,3s)-2-[(e)-3-(3,4-dioxidobenzene-5-id-1-yl)prop-2-enoyl]oxy-3-[(e)-3-(3,4-dioxidophenyl)prop-2-enoyl]oxy-butanedioate
Molecular Mass 474.371 g·mol−1
Heat of Formation -1773.2 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 514.47 Å 3
Surface Area 468.66 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C2
Synonyms
  • (1s,2s)-1,2-bis(3-(3,4-dihydroxyphenyl)prop-2-enoyloxy)ethane-1,2-dicarboxylic acid
  • (1s,2s)-1,2-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]ethane-1,2-dicarboxylic acid
  • (2s,3s)-2,3-bis[(e)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]butanedioic acid
  • (2s,3s)-2,3-bis[[(e)-3-(3,4-dihydroxyphenyl)acryloyl]oxy]succinic acid
  • (2s,3s)-2,3-bis[[(e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
  • butanedioic acid, 2,3-bis(((2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-, (2s,3s)-
  • butanedioic acid, 2,3-bis[[(2e)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (2s,3s)-
  • d-chicoric acid
  • d-dcta
  • dicaffeoyl-d-tartaric acid
CAS Number(s)
  • 52248-48-3
InChIKey YDDGKXBLOXEEMN-QFZCZCNSSA-N
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