HuagongsheHuagongshe Chemistry Print Report · For research reference only
5,6,7-Trimethoxy-1-indanone
Identifiers & Physical Properties
| Molecular formula | C12H14O4 |
|---|---|
| Average molar mass | 222.24 g/mol |
| Monoisotopic mass | 222.08920892 g/mol |
| SMILES | COc1cc2c(c(OC)c1OC)C(=O)CC2 |
| InChIKey | GQMRLYSXCICRFW-UHFFFAOYSA-N |
| PubChem CID | 610210 |
| ChEMBL | CHEMBL1892020 |
Chemical & Physical Properties
| XLogP | 1.6 |
|---|---|
| Topological polar surface area | 44.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 266 |