Shikimic acid

CAS Registry Number®

138-59-0

CAS Name

Shikimic acid

Molecular Formula

C7H10O5

Molecular Mass

174.15

Cite this Page

Shikimic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=138-59-0 (retrieved 2024-11-24) (CAS RN: 138-59-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    185-187 °C

  • Melting Point (2)

    183-184.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1

InChIKey

InChIKey=JXOHGGNKMLTUBP-HSUXUTPPSA-N

SMILES

C(O)(=O)C=1C[C@@H](O)[C@H](O)[C@H](O)C1

Canonical SMILES

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

Other Names for this Substance

  • 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, (3R,4S,5R)-
  • 1-Cyclohexene-1-carboxylic acid, 3,4,5-trihydroxy-, [3R-(3α,4α,5β)]-
  • (3R,4S,5R)-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid
  • Shikimic acid
  • [3R-(3α,4α,5β)]-3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid

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Deleted or Replaced CAS Registry Numbers

22574-35-2

CAS INSIGHTSTM
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