Molecule ID: 6931339

IUPAC Name: (E)-3-(1H-indol-3-yl)prop-2-enoate

Description: The molecule is a monocarboxylic acid anion that is the conjugate base of 3-indoleacrylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an (E)-3-(indol-3-yl)acrylic acid.

SMILES: O=C([O-])/C=C/c1c[nH]c2ccccc12

SELFIES: [O][=C][Branch1][C][O-1][/C][=C][/C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/p-1/b6-5+

Molecular Properties:
- Polar Surface Area: 55.9 Ų
- LogP: 2.8