Quinic acid

CAS Registry Number®

36413-60-2
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CAS Name

Quinic acid

Molecular Formula

C7H12O6

Molecular Mass

192.17

Cite this Page

Quinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=36413-60-2 (retrieved 2024-04-25) (CAS RN: 36413-60-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C7H12O6/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-,4-,5-,7+/s2

InChIKey

InChIKey=AAWZDTNXLSGCEK-QLAIBGQYNA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1α,3R,4α,5R)-rel-
  • Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1α,3α,4α,5β)-
  • rel-(1α,3R,4α,5R)-1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid
  • Quinic acid
  • NSC 1115

Deleted or Replaced CAS Registry Numbers

1010-25-9

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