Molecule ID: 82395

IUPAC Name: ethyl 4-oxobutanoate

Description: The molecule is a carboxylic ester obtained by the formal condensation of the carboxy group of succinic semialdehyde with ethanol. It has a role as a metabolite. It is an aldehyde and a carboxylic ester. It derives from a succinic semialdehyde and an ethanol.

SMILES: CCOC(=O)CCC=O

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

InChI: InChI=1S/C6H10O3/c1-2-9-6(8)4-3-5-7/h5H,2-4H2,1H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: -0.1