Molecule ID: 6375

IUPAC Name: nitromethane

Description: The molecule is a primary nitroalkane that is methane in which one of the hydrogens is replace by a nitro group. A polar solvent (b.p. 101 ℃), it is an important starting material in organic synthesis. It is also used as a fuel for rockets and radio-controlled models. It has a role as an EC 4.3.1.3 (histidine ammonia-lyase) inhibitor, a polar aprotic solvent and an explosive. It is a primary nitroalkane and a volatile organic compound.

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

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

InChI: InChI=1S/CH3NO2/c1-2(3)4/h1H3

Molecular Properties:
- Polar Surface Area: 45.8 Ų
- LogP: 0.1