1-propanol | SBID = 978 | Compound |
Structure
Molecular Properties
| Interactions: | 6 | ||
| PubChem TPSA/Å2: | 20.2 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 1.0 | ||
| 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: | 54.4 | ||
| Sum Formula: | C3H8O | ||
| M / g/mol: | 60.1 | ||
| Complexity: | 7.0 | ||
| Number of Conformers: | 3.0 |
Identifiers
- Tags: typical guest
- Name: 1-propanol
- Preferred Abbreviation: 1-propanol
- IUPAC Name: propan-1-ol
- CAS: 71-23-8
- CID: 1031
- InChiKey: BDERNNFJNOPAEC-UHFFFAOYSA-N
- InChi: InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
- CanoSmiles: CCCO
- IsoSmiles: CCCO
