propiononitrile | SBID = 977 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 23.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.2 | ||
| 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: | 51.2 | ||
| Sum Formula: | C3H5N | ||
| M / g/mol: | 55.08 | ||
| Complexity: | 38.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aliphatic
- Name: propiononitrile
- Preferred Abbreviation: propiononitrile
- IUPAC Name: propanenitrile
- CAS: 107-12-0
- CID: 7854
- InChiKey: FVSKHRXBFJPNKK-UHFFFAOYSA-N
- InChi: InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3
- CanoSmiles: CCC#N
- IsoSmiles: CCC#N
