HuagongsheHuagongshe Chemistry Print Report · For research reference only
7-Hydroxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one

Identifiers & Physical Properties
| CAS No. | 66922-84-7 |
|---|---|
| Molecular formula | C18H16O6 |
| Average molar mass | 328.3 g/mol |
| Monoisotopic mass | 328.09468823 g/mol |
| SMILES | COc1cc(-c2cc(=O)c3ccc(O)cc3o2)cc(OC)c1OC |
| InChIKey | MDEDRFPEUVNRFK-UHFFFAOYSA-N |
| PubChem CID | 5381920 |
| ChEMBL | CHEMBL485247 |
| DTXSID | DTXSID20217077 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 74.2 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 476 |