Molecule ID: 77563

IUPAC Name: 12-oxododecanoic acid

Description: The molecule is an omega-oxo fatty acid that is dodecanoic acid carrying an oxo group at position 12. It is an omega-oxo fatty acid, an oxo monocarboxylic acid, a medium-chain fatty acid and an aldehydic acid. It derives from a dodecanoic acid. It is a conjugate acid of a 12-oxododecanoate.

SMILES: O=CCCCCCCCCCCC(=O)O

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

InChI: InChI=1S/C12H22O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h11H,1-10H2,(H,14,15)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 3.3