Caftaric acid

CAS Registry Number®

67879-58-7
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CAS Name

Caftaric acid

Molecular Formula

C13H12O9

Molecular Mass

312.23

Cite this Page

Caftaric acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=67879-58-7 (retrieved 2024-04-25) (CAS RN: 67879-58-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    123-125 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H12O9/c14-7-3-1-6(5-8(7)15)2-4-9(16)22-11(13(20)21)10(17)12(18)19/h1-5,10-11,14-15,17H,(H,18,19)(H,20,21)/b4-2+/t10-,11-/m1/s1

InChIKey

InChIKey=SWGKAHCIOQPKFW-JTNORFRNSA-N

SMILES

[C@@H](OC(/C=C/C1=CC(O)=C(O)C=C1)=O)([C@H](C(O)=O)O)C(O)=O

Canonical SMILES

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

Other Names for this Substance

  • Butanedioic acid, 2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3-hydroxy-, (2R,3R)-
  • Butanedioic acid, 2-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3-hydroxy-, [R-[R*,R*-(E)]]-
  • Butanedioic acid, 2-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3-hydroxy-, (2R,3R)-
  • (2R,3R)-2-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3-hydroxybutanedioic acid
  • Caftaric acid

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Deleted or Replaced CAS Registry Numbers

72880-50-3

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