6601-62-3
| Name | cirsimaritin |
| CAS | 6601-62-3 |
| Molecular Formula | C17H14O6 |
| MDL Number | MFCD00238561 |
| Molecular Weight | 314.29 |
| MOL File | 6601-62-3.mol |
Chemical Properties
| Melting point | 257 °C |
| Boiling point | 563.6±50.0 °C(Predicted) |
| density | 1.402±0.06 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMSO: 10 mM |
| form | A solid |
| pka | 6.34±0.40(Predicted) |
| color | Light yellow to light brown |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C17H14O6/c1-21-14-8-13-15(16(20)17(14)22-2)11(19)7-12(23-13)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3 |
| InChIKey | ZIIAJIWLQUVGHB-UHFFFAOYSA-N |
| SMILES | COc1cc2OC(=CC(=O)c2c(O)c1OC)c3ccc(O)cc3 |
| LogP | 1.970 (est) |
Safety Data
| Hazard Codes | T,N |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1 / PGIII |
| WGK Germany | 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Aquatic Acute 1 Aquatic Chronic 1 |