Nitromethane
CAS Number: 75-52-5
Molecular Mass: 61.04 g/mol
Formula: CH3NO2
Smiles: C[N+](=O)[O-]
Melting point: -28.7 °C
Boiling point: 101.1 °C
Density: 1.1371 g/cm3
Dipole moment: 3.46 D
Refractive index: 1.3817
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 42.0941 |
| PMI2 | 47.9078 |
| PMI3 | 86.7193 |
| NPR1 | 0.4854 |
| NPR2 | 0.5524 |
| RadiusOfGyration | 1.2032 |
| InertialShapeFactor | 0.0131 |
| Eccentricity | 0.8743 |
| Asphericity | 0.2262 |
| SpherocityIndex | 0.3584 |
| PBF | 0.2995 |