Molecule ID: 11953817

IUPAC Name: N,3-dihydroxy-3-oxopropan-1-imine oxide

Description: The molecule is an aci-nitro compound resulting from the tautomerisation of the nitro group of 3-nitropropanoic acid. It is a conjugate acid of a 3-(dioxido-lambda(5)-azanylidene)propanoate(2-) and a 3-aci-nitropropanoate. It is a tautomer of a 3-nitropropanoic acid.

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

SELFIES: [O][=C][Branch1][C][O][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)

Molecular Properties:
- Polar Surface Area: 86.3 Ų
- LogP: -0.9