Molecule ID: 90728

IUPAC Name: 1-oxopropan-2-yl acetate

Description: The molecule is an aldehyde that is propanal substituted by an acetoxy group at position 2. It has a role as a metabolite. It is an aldehyde and an acetate ester.

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

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

InChI: InChI=1S/C5H8O3/c1-4(3-6)8-5(2)7/h3-4H,1-2H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 0.0