Molecule ID: 10922936

IUPAC Name: [2,6-dimethoxy-4-[(E)-3-oxoprop-1-enyl]phenyl] acetate

Description: The molecule is an acetate ester obtained by the formal condensation of hydroxy group of sinapoyl aldehyde with acetic acid. It is a dimethoxybenzene, a member of cinnamaldehydes and a member of phenyl acetates. It derives from an (E)-sinapaldehyde.

SMILES: COc1cc(/C=C/C=O)cc(OC)c1OC(C)=O

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

InChI: InChI=1S/C13H14O5/c1-9(15)18-13-11(16-2)7-10(5-4-6-14)8-12(13)17-3/h4-8H,1-3H3/b5-4+

Molecular Properties:
- Polar Surface Area: 61.8 Ų
- LogP: 1.5