Molecule ID: 13037

IUPAC Name: ethenyl benzoate

Description: The molecule is an enoate ester obtained by the formal condensation of the carboxy group of benzoic acid with ethenol. Metabolite observed in cancer metabolism. It has a role as a human metabolite.

SMILES: C=COC(=O)c1ccccc1

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

InChI: InChI=1S/C9H8O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2-7H,1H2

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 2.3