Molecule ID: 5280501

IUPAC Name: (E)-3-nitroprop-2-enoic acid

Description: The molecule is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by a nitro group. It derives from an acrylic acid. It is a conjugate acid of a 3-nitroacrylate.

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

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

InChI: InChI=1S/C3H3NO4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)/b2-1+

Molecular Properties:
- Polar Surface Area: 83.1 Ų
- LogP: -0.1