17817-31-1
| Name | 6,7,4'-Trihydroxyisoflavone |
| CAS | 17817-31-1 |
| Molecular Formula | C15H10O5 |
| MDL Number | MFCD00016953 |
| Molecular Weight | 270.24 |
| MOL File | 17817-31-1.mol |
Chemical Properties
| Melting point | >280℃ |
| Boiling point | 587.1±50.0 °C(Predicted) |
| density | 1.548±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | soluble in Dimethylformamide |
| form | powder to crystal |
| pka | 6.85±0.20(Predicted) |
| color | Light yellow to Brown to Dark green |
| biological source | synthetic |
| Major Application | clinical research general analytical life science and biopharma metabolomics |
| InChI | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H |
| InChIKey | GYLUFQJZYAJQDI-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O |
| LogP | 2.170 (est) |
| CAS DataBase Reference | 17817-31-1(CAS DataBase Reference) |
Safety Data
| Safety Statements | |
| WGK Germany | 3 |
| F | 10 |
| HS Code | 2914.69.9000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 |