Molecule ID: 440192

IUPAC Name: benzyl 2-methyl-3-oxobutanoate

Description: The molecule is a benzyl ester obtained by the formal condensation of the carboxy group of 2-methylacetoacetic acid with the hydroxy group of benzyl alcohol. It is a fatty acid ester, a beta-ketoester, a methyl ketone and a benzyl ester. It derives from a 2-methylacetoacetic acid.

SMILES: CC(=O)C(C)C(=O)OCc1ccccc1

SELFIES: [C][C][=Branch1][C][=O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]

InChI: InChI=1S/C12H14O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3

Molecular Properties:
- Polar Surface Area: 43.4 Ų
- LogP: 2.0