Molecule ID: 21145099

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

Description: The molecule is conjugate base of (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid. It is a hydroxy monocarboxylic acid anion and a 3-oxo monocarboxylic acid anion. It is a conjugate base of a (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid.

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

SELFIES: [O][=C][Branch1][C][O-1][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)/p-1/t4-,5-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 0.0