Molecule ID: 6971075

IUPAC Name: 3-nitropropanoate

Description: The molecule is the conjugate base of 3-nitropropanoic acid; major species at pH 7.3. It is a conjugate base of a 3-nitropropanoic acid. It is a tautomer of a 3-aci-nitropropanoate.

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

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

InChI: InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)/p-1

Molecular Properties:
- Polar Surface Area: 86.0 Ų
- LogP: 0.2