Molecule ID: 159664

IUPAC Name: 2-oxohexanoic acid

Description: The molecule is a straight-chain fatty acid consisting of hexanoic acid having an oxo group at position 2. It has a role as a human blood serum metabolite. It is a 2-oxo monocarboxylic acid, an oxo fatty acid, a medium-chain fatty acid and a straight-chain fatty acid. It derives from a hexanoic acid. It is a conjugate acid of a 2-oxohexanoate.

SMILES: CCCCC(=O)C(=O)O

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

InChI: InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 1.0