Molecule ID: 46931115

IUPAC Name: 3-dioxidoazaniumylidenepropanoate

Description: The molecule is dianion of 3-aci-nitropropanoic acid arising from deprotonation of carboxy and nitro groups; major species at pH 7.3. It is a conjugate base of a 3-aci-nitropropanoic acid.

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

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

InChI: InChI=1S/C3H4NO4/c5-3(6)1-2-4(7)8/h2H,1H2,(H-,5,6,7,8)/q-1/p-1

Molecular Properties:
- Polar Surface Area: 86.0 Ų
- LogP: -0.8