Aconitic acid

CAS Registry Number®

499-12-7
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CAS Name

Aconitic acid

Molecular Formula

C6H6O6

Molecular Mass

174.11

Cite this Page

Aconitic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=499-12-7 (retrieved 2024-06-21) (CAS RN: 499-12-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    194-195 °C (decomp)

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

InChIKey=GTZCVFVGUGFEME-UHFFFAOYSA-N

SMILES

C(CC(O)=O)(=CC(O)=O)C(O)=O

Canonical SMILES

O=C(O)C=C(C(=O)O)CC(=O)O

Other Names for this Substance

  • 1-Propene-1,2,3-tricarboxylic acid
  • Achilleaic acid
  • Achilleic acid
  • Aconitic acid
  • Citridic acid

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