HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(4-Chloro-3-methylphenyl)-2-propyne-1-ol
Identifiers & Physical Properties
| CAS No. | 1093173-24-0 |
|---|---|
| Molecular formula | C10H9ClO |
| Average molar mass | 180.63 g/mol |
| Monoisotopic mass | 180.0341926 g/mol |
| SMILES | Cc1cc(C#CCO)ccc1Cl |
| InChIKey | DOTHYUQRRSMRKW-UHFFFAOYSA-N |
| PubChem CID | 59407828 |
| DTXSID | DTXSID101271996 |
Chemical & Physical Properties
| XLogP | 2.4 |
|---|---|
| Topological polar surface area | 20.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 200 |