Molecule ID: 5460210

IUPAC Name: 6-oxohexanoate

Description: The molecule is a straight-chain fatty acid anion and the conjugate base of 6-oxohexanoic acid, formed by deprotonation of the carboxylic acid group. It is a 6-oxo monocarboxylic acid anion, a straight-chain fatty acid anion, an aldehydic acid anion and an omega-oxo fatty acid anion. It derives from a hexanoate. It is a conjugate base of a 6-oxohexanoic acid.

SMILES: O=CCCCCC(=O)[O-]

SELFIES: [O][=C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)/p-1

Molecular Properties:
- Polar Surface Area: 57.2 Ų
- LogP: 0.5