Caffeylmalic acid

CAS Registry Number®

39015-77-5

CAS Name

Caffeylmalic acid

Molecular Formula

C13H12O8

Molecular Mass

296.23

Cite this Page

Caffeylmalic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=39015-77-5 (retrieved 2024-12-22) (CAS RN: 39015-77-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H12O8/c14-8-3-1-7(5-9(8)15)2-4-12(18)21-10(13(19)20)6-11(16)17/h1-5,10,14-15H,6H2,(H,16,17)(H,19,20)

InChIKey

InChIKey=PMKQSEYPLQIEAY-UHFFFAOYSA-N

SMILES

C(=CC(OC(CC(O)=O)C(O)=O)=O)C1=CC(O)=C(O)C=C1

Canonical SMILES

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

Other Names for this Substance

  • Butanedioic acid, 2-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-
  • Butanedioic acid, [[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-
  • 2-[[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]butanedioic acid
  • Caffeylmalic acid
  • Coumaroyl malic acid

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