HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dibenzofuran-4-ylmethanol
4-Dibenzofuranmethanol · 4-(hydroxylmethyl)dibenzofuran · dibenzo[b,d]furan-4-ylmethanol
Identifiers & Physical Properties
| CAS No. | 64102-19-8 |
|---|---|
| Molecular formula | C13H10O2 |
| Average molar mass | 198.22 g/mol |
| Monoisotopic mass | 198.06807956 g/mol |
| SMILES | OCc1cccc2c1oc1ccccc12 |
| InChIKey | QEBVPXQMWKOIRY-UHFFFAOYSA-N |
| PubChem CID | 12373571 |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 33.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 229 |
| Melting point | 93.5-94.0 °C(Solv: ethanol (64-17-5)water (7732-18-5)) |
| Boiling point | 379.2±17.0 °C(Predicted) |
| Density | 1.284±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 14.15±0.10(Predicted) |