Acetonitrile | SBID = 449 | Compound |
Structure
Molecular Properties
| Interactions: | 5 | ||
| PubChem TPSA/Å2: | 23.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.0 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 38.3 | ||
| Sum Formula: | C2H3N | ||
| M / g/mol: | 41.05 | ||
| Complexity: | 29.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: Acetonitrile
- Preferred Abbreviation: Acetonitrile
- IUPAC Name: acetonitrile
- CAS: 75-05-8
- CID: 6342
- InChiKey: WEVYAHXRMPXWCK-UHFFFAOYSA-N
- InChi: InChI=1S/C2H3N/c1-2-3/h1H3
- CanoSmiles: CC#N
- IsoSmiles: CC#N
