Chorismic acid

CAS Registry Number®

617-12-9

CAS Name

Chorismic acid

Molecular Formula

C10H10O6

Molecular Mass

226.18

Cite this Page

Chorismic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=617-12-9 (retrieved 2024-11-22) (CAS RN: 617-12-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    116-119 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1

InChIKey

InChIKey=WTFXTQVDAKGDEY-HTQZYQBOSA-N

SMILES

O(C(C(O)=O)=C)[C@@H]1C=C(C(O)=O)C=C[C@H]1O

Canonical SMILES

O=C(O)C(OC1C=C(C=CC1O)C(=O)O)=C

Other Names for this Substance

  • 1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, (3R,4R)-
  • 1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyvinyl)oxy]-4-hydroxy-, (3R-trans)-
  • 1,5-Cyclohexadiene-1-carboxylic acid, 3-[(1-carboxyethenyl)oxy]-4-hydroxy-, (3R-trans)-
  • (3R,4R)-3-[(1-Carboxyethenyl)oxy]-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid
  • (3R-trans)-3-(1-Carboxyvinyloxy)-4-hydroxy-1,5-cyclohexadiene-1-carboxylic acid

View All

CAS INSIGHTSTM
Hourglass and a clock