HuagongsheHuagongshe Chemistry Print Report · For research reference only
1,4-Dimethoxy-5,6,8,9-tetrahydrobenzocyclohepten-7-one
Identifiers & Physical Properties
| Molecular formula | C13H16O3 |
|---|---|
| Average molar mass | 220.26 g/mol |
| Monoisotopic mass | 220.10994437 g/mol |
| SMILES | COc1ccc(OC)c2c1CCC(=O)CC2 |
| InChIKey | OSWLZKGNYZCTRV-UHFFFAOYSA-N |
| PubChem CID | 11031370 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 2 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 228 |