Molecule ID: 192730

IUPAC Name: 4-oxocyclohexane-1-carboxylic acid

Description: The molecule is a 5-oxo monocarboxylic acid that is cyclohexanone in which one of the hydrogens at position 4 is substituted by a carboxylic acid group. It derives from a cyclohexanone and a cyclohexanecarboxylic acid. It is a conjugate acid of a 4-oxocyclohexanecarboxylate.

SMILES: O=C1CCC(C(=O)O)CC1

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

InChI: InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: -0.1