HuagongsheHuagongshe Chemistry Print Report · For research reference only
6,7-Bis(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone
6,7-bis(mesyloxy)-3-(4-methoxyphenyl)-4-benzopyrone · 3-(4-Methoxyphenyl)-6,7-bis[(methylsulfonyl)oxy]-4H-1-benzopyran-4-one · 4H-1-Benzopyran-4-one, 3-(4-methoxyphenyl)-6,7-bis[(methylsulfonyl)oxy]- · [3-(4-methoxyphenyl)-7-methylsulfonyloxy-4-oxochromen-6-yl] methanesulfonate
Identifiers & Physical Properties
| CAS No. | 94201-89-5 |
|---|---|
| Molecular formula | C18H16O9S2 |
| Average molar mass | 440.4 g/mol |
| Monoisotopic mass | 440.02357443 g/mol |
| SMILES | COc1ccc(-c2coc3cc(OS(C)(=O)=O)c(OS(C)(=O)=O)cc3c2=O)cc1 |
| InChIKey | SNMFEUASECRBOZ-UHFFFAOYSA-N |
| PubChem CID | 44148317 |
| EC No. | 303-679-4 |
| DTXSID | DTXSID70241029 |
Chemical & Physical Properties
| XLogP | 2.2 |
|---|---|
| Topological polar surface area | 139 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 9 |
| Rotatable bonds | 6 |
| Heavy atoms | 29 |
| Formal charge | 0 |
| Complexity | 843 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Boiling point | 675.3±55.0 °C(Predicted) |
| Density | 1.501±0.06 g/cm3(Predicted) |