Molecule ID: 735755

IUPAC Name: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid

Description: The molecule is a methoxycinnamic acid with three methoxy substituents at the 3-, 4- and 5-positions. It has a role as an allergen. It is a conjugate acid of a 3,4,5-trimethoxycinnamate.

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

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

InChI: InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+

Molecular Properties:
- Polar Surface Area: 65.0 Ų
- LogP: 1.4