Chicoric acid

CAS Registry Number®

6537-80-0

CAS Name

Chicoric acid

Molecular Formula

C22H18O12

Molecular Mass

474.37

Cite this Page

Chicoric acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6537-80-0 (retrieved 2024-11-29) (CAS RN: 6537-80-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    206 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/t19-,20-/m1/s1

InChIKey

InChIKey=YDDGKXBLOXEEMN-WOJBJXKFSA-N

SMILES

[C@H]([C@@H](OC(C=CC1=CC(O)=C(O)C=C1)=O)C(O)=O)(OC(C=CC2=CC(O)=C(O)C=C2)=O)C(O)=O

Canonical SMILES

O=C(OC(C(=O)O)C(OC(=O)C=CC1=CC=C(O)C(O)=C1)C(=O)O)C=CC2=CC=C(O)C(O)=C2

Other Names for this Substance

  • Butanedioic acid, 2,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (2R,3R)-
  • Tartaric acid, bis(3,4-dihydroxycinnamate)
  • Butanedioic acid, 2,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, [R-(R*,R*)]-
  • Butanedioic acid, 2,3-bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-, (2R,3R)-
  • (2R,3R)-2,3-Bis[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]butanedioic acid

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Deleted or Replaced CAS Registry Numbers

135541-38-7

CAS INSIGHTSTM
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