Molecule ID: 440918

IUPAC Name: 6-oxohexanoic acid

Description: The molecule is a medium-chain fatty acid comprising hexanoic acid carrying an oxo group at position 6. It is a 6-oxo monocarboxylic acid, a medium-chain fatty acid, a straight-chain fatty acid, an aldehydic acid and an omega-oxo fatty acid. It derives from a hexanoic acid. It is a conjugate acid of a 6-oxohexanoate.

SMILES: O=CCCCCC(=O)O

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

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

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: -0.1