3-Dehydroquinic acid
CAS Registry Number®
10534-44-8
No image available.
CAS Name
3-Dehydroquinic acidMolecular Formula
C7H10O6Molecular Mass
190.15Cite this Page
3-Dehydroquinic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10534-44-8 (retrieved ) (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
Deleted or Replaced CAS Registry Numbers
2922-43-2
