propane-1,2-diol | SBID = 2283 | Compound |
Structure
Molecular Properties
| Interactions: | 2 | ||
| PubChem TPSA/Å2: | 40.5 | ||
| Ertl TPSA/Å2: | 40.46 | ||
| Hydrophilicity (PubChem XLogP): | -0.9 | ||
| Hydrophilicity (Cheng XLogP3): | -0.92 | ||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 1.0 | ||
| 3D Volume/Å3: | 62.1 | ||
| Sum Formula: | C3H8O2 | ||
| M / g/mol: | 76.09 | ||
| Complexity: | 20.0 | ||
| Number of Conformers: | 6.0 |
Identifiers
- Tags:
- Name: propane-1,2-diol
- Preferred Abbreviation: propylene glycol
- IUPAC Name: propane-1,2-diol
- CAS:
- CID: 1030
- InChiKey: DNIAPMSPPWPWGF-UHFFFAOYSA-N
- InChi: InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
- CanoSmiles: CC(CO)O
- IsoSmiles: CC(CO)O
