3-Dehydroquinic acid

CAS Registry Number®

10534-44-8

CAS Name

3-Dehydroquinic acid

Molecular Formula

C7H10O6

Molecular Mass

190.15

Cite this Page

3-Dehydroquinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=10534-44-8 (retrieved 2024-11-25) (CAS RN: 10534-44-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    139-140 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)/t3-,5+,7-/m1/s1

InChIKey

InChIKey=WVMWZWGZRAXUBK-SYTVJDICSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-oxo-, (1R,3R,4S)-
  • Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-oxo-, [1R-(1α,3β,4α)]-
  • (1R,3R,4S)-1,3,4-Trihydroxy-5-oxocyclohexanecarboxylic acid
  • Quinic acid, 5-dehydro-
  • 5-Dehydroquinic acid

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Deleted or Replaced CAS Registry Numbers

2922-43-2

CAS INSIGHTSTM
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