Molecule ID: 5282982

IUPAC Name: 3-oxodecanoic acid

Description: The molecule is an oxo fatty acid that is the 3-oxo derivative of decanoic acid. It derives from a decanoic acid. It is a conjugate acid of a 3-oxodecanoate.

SMILES: CCCCCCCC(=O)CC(=O)O

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

InChI: InChI=1S/C10H18O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h2-8H2,1H3,(H,12,13)

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 2.6