Molecule ID: 85526

IUPAC Name: 3-(4-nitrophenyl)propanoic acid

Description: The molecule is a monocarboxylic acid that is 3-phenylpropionic acid in which the hydrogen at the para position of the phennyl group has been replaced by a nitro group. It has a role as a chromogenic compound. It is a monocarboxylic acid and a C-nitro compound. It derives from a 3-phenylpropionic acid.

SMILES: O=C(O)CCc1ccc([N+](=O)[O-])cc1

SELFIES: [O][=C][Branch1][C][O][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]

InChI: InChI=1S/C9H9NO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: 1.3