Molecule ID: 1094

IUPAC Name: 3,4,5-trihydroxycyclohexene-1-carboxylic acid

Description: The molecule is a cyclohexenecarboxylic acid that is 1-cyclohexene-1-carboxylic acid carrying three hydroxy substituents at positions 3, 4 and 5. It has a role as a bacterial metabolite. It is an alpha,beta-unsaturated monocarboxylic acid, a cyclohexenecarboxylic acid and a hydroxy monocarboxylic acid.

SMILES: O=C(O)C1=CC(O)C(O)C(O)C1

SELFIES: [O][=C][Branch1][C][O][C][=C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][=Branch2]

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)

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: -1.7