Showing Metabocard for propane-1,3-diol (BASm0000522)
| Common Name | Propane-1,3-diol |
|---|---|
| Description | UL |
| Structure | |
| Molecular Formula | C3H8O2 |
| Average Mass | 76.09440 |
| Monoisotopic Mass | 76.05243 |
| IUPAC Name | propane-1,3-diol |
| Traditional Name | Propanediol |
| CAS Registry Number | Not Available |
| SMILES | OCCCO |
| InChI Identifier | InChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2 |
| InChI Key | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:16109 |
| HMDB ID | HMDB0061973 |
| State | Not Available |
| Water Solubility | 8.59e+02 g/l |
| logP | -1.18 |
| logS | 1.05 |
| pKa (Strongest Acidic) | 15.60 |
| pKa (Strongest Basic) | -2.41 |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 40.46 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 19.42 m³·mol⁻¹ |
| Polarizability | 8.15 |