Molecule ID: 139100

IUPAC Name: 3-oxobutyl acetate

Description: The molecule is an acetate ester that is butyl acetate substituted by an oxo group at position 3. It has a role as a metabolite. It derives from a butyl acetate.

SMILES: CC(=O)CCOC(C)=O

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

InChI: InChI=1S/C6H10O3/c1-5(7)3-4-9-6(2)8/h3-4H2,1-2H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: -0.2