Molecule ID: 398

IUPAC Name: 2-nitropropane

Description: The molecule is a secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro group. Mainly used as a solvent (b.p. 120鈩?. It has a role as a hepatotoxic agent, a carcinogenic agent, a polar aprotic solvent and a xenobiotic.

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

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

InChI: InChI=1S/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3

Molecular Properties:
- Polar Surface Area: 45.8 Ų
- LogP: 0.8