Nitromethane | SBID = 1263 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 45.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 45.6 | ||
| Sum Formula: | CH3NO2 | ||
| M / g/mol: | 61.04 | ||
| Complexity: | 27.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: Nitromethane
- Preferred Abbreviation: Nitromethane
- IUPAC Name: nitromethane
- CAS: 75-52-5
- CID: 6375
- InChiKey: LYGJENNIWJXYER-UHFFFAOYSA-N
- InChi: InChI=1S/CH3NO2/c1-2(3)4/h1H3
- CanoSmiles: C[N+](=O)[O-]
- IsoSmiles: C[N+](=O)[O-]
