Molecule ID: 7122931

IUPAC Name: 2-[(1S)-3-oxocyclohexyl]acetic acid

Description: The molecule is an oxo monocarboxylic acid that is acetic acid in with one of the methyl hydrogens is replaced by a 3-oxocyclohexyl group (the S-enantiomer). It has a role as a bacterial xenobiotic metabolite. It is an oxo monocarboxylic acid and an alicyclic ketone.

SMILES: O=C(O)C[C@H]1CCCC(=O)C1

SELFIES: [O][=C][Branch1][C][O][C][C@H1][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1]

InChI: InChI=1S/C8H12O3/c9-7-3-1-2-6(4-7)5-8(10)11/h6H,1-5H2,(H,10,11)/t6-/m0/s1

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 0.3