
479-13-0
| Name | COUMESTROL |
| CAS | 479-13-0 |
| EINECS(EC#) | 207-525-6 |
| Molecular Formula | C15H8O5 |
| MDL Number | MFCD00016885 |
| Molecular Weight | 268.22 |
| MOL File | 479-13-0.mol |
Chemical Properties
| Appearance | Yellow to Beige Powder |
| Melting point | ≥350 °C(lit.) |
| Boiling point | 331.39°C (rough estimate) |
| density | 1.2586 (rough estimate) |
| refractive index | 1.7680 (estimate) |
| storage temp. | Refrigerator |
| solubility | DMSO: soluble |
| form | Light beige solid. |
| pka | 8.25±0.20(Predicted) |
| color | Pale Yellow to Dark Brown |
| Usage | This compound has estrogenic activity. It exhibits bright blue fluorescence in neutral or acid solution, and greenish-yellow fluorescence in strong alkali solution |
| BRN | 266702 |
| InChI | InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H |
| InChIKey | ZZIALNLLNHEQPJ-UHFFFAOYSA-N |
| SMILES | C1(=O)OC2=CC(O)=CC=C2C2OC3=CC(O)=CC=C3C1=2 |
| LogP | 2.940 (est) |
| CAS DataBase Reference | 479-13-0(CAS DataBase Reference) |
| EPA Substance Registry System | Coumestrol (479-13-0) |