Molecule ID: 124202406

IUPAC Name: (3E)-3-[hydroxy(oxido)azaniumylidene]propanoate

Description: The molecule is a monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 3-aci-nitropropanoic acid. It is a conjugate base of a 3-aci-nitropropanoic acid. It is a tautomer of a 3-nitropropanoate.

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

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

InChI: InChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h2H,1H2,(H,5,6)(H,7,8)/p-1

Molecular Properties:
- Polar Surface Area: 89.1 Ų
- LogP: -0.2