Molecule ID: 687126

IUPAC Name: (E)-3-(3-nitrophenyl)prop-2-enoic acid

Description: The molecule is a C-nitro compound comprising trans-cinnamic acid having a nitro group at position 3 on the phenyl ring. It derives from a trans-cinnamic acid.

SMILES: O=C(O)/C=C/c1cccc([N+](=O)[O-])c1

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

InChI: InChI=1S/C9H7NO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6H,(H,11,12)/b5-4+

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: 1.5