HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(3,5-Dimethoxyphenoxy)-1,2-propanediol
Identifiers & Physical Properties
| CAS No. | 27318-87-2 |
|---|---|
| Molecular formula | C11H16O5 |
| Average molar mass | 228.24 g/mol |
| Monoisotopic mass | 228.09977361 g/mol |
| SMILES | COc1cc(OC)cc(OCC(O)CO)c1 |
| InChIKey | ZSCBAJZMNJWRTI-UHFFFAOYSA-N |
| PubChem CID | 213933 |
| DTXSID | DTXSID80950039 |
Chemical & Physical Properties
| XLogP | 0.5 |
|---|---|
| Topological polar surface area | 68.2 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 175 |