Molecule ID: 440432

IUPAC Name: (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid

Description: The molecule is a 4-oxo monocarboxylic acid, a 5-hydroxy monocarboxylic acid and a secondary alpha-hydroxy ketone. It derives from a cyclohexanecarboxylic acid. It is a conjugate acid of a (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylate.

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

SELFIES: [O][=C][Branch1][C][O][C@H1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][C][Ring1][Branch2]

InChI: InChI=1S/C7H10O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-5,8H,1-3H2,(H,10,11)/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 74.6 Ų
- LogP: -0.6