Molecule ID: 5893006

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

Description: The molecule is a member of the class of cinnamaldehydes that is cinnamaldehyde substituted by an acetoxy group at position 4 and a methoxy group at position 3 respectively. It is a member of cinnamaldehydes, a monomethoxybenzene and a member of phenyl acetates. It derives from an (E)-cinnamaldehyde.

SMILES: COc1cc(/C=C/C=O)ccc1OC(C)=O

SELFIES: [C][O][C][=C][C][Branch1][Branch1][/C][=C][/C][=O][=C][C][=C][Ring1][#Branch2][O][C][Branch1][C][C][=O]

InChI: InChI=1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+

Molecular Properties:
- Polar Surface Area: 52.6 Ų
- LogP: 1.5