HuagongsheHuagongshe Chemistry Print Report · For research reference only
ST052232
Identifiers & Physical Properties
| CAS No. | 6368-52-1 |
|---|---|
| Molecular formula | C17H19NO5 |
| Average molar mass | 317.34 g/mol |
| Monoisotopic mass | 317.12632271 g/mol |
| SMILES | CCOc1ccc(C2C(C(=O)OC)=CNC=C2C(=O)OC)cc1 |
| InChIKey | LSHZZZXMBXJLKJ-UHFFFAOYSA-N |
| PubChem CID | 607222 |
| DTXSID | DTXSID20345804 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 73.9 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 7 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 471 |