Molecule ID: 439717

IUPAC Name: 3-oxododecanoic acid

Description: The molecule is a 3-oxo fatty acid. It derives from a dodecanoic acid. It is a conjugate acid of a 3-oxododecanoate.

SMILES: CCCCCCCCCC(=O)CC(=O)O

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

InChI: InChI=1S/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 3.7