5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid
- Product Name5-(3,4-Dimethoxy-phenyl)-isoxazole-3-carboxylic acid
- CAS33282-17-6
- MFC12H11NO5
- MW249.22
- EINECS
- MOL File33282-17-6.mol
Chemical Properties
| Boiling point | 461.6±45.0 °C(Predicted) |
| Density | 1.302±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| pka | 3.30±0.10(Predicted) |
| form | solid |
| InChI | 1S/C12H11NO5/c1-16-9-4-3-7(5-11(9)17-2)10-6-8(12(14)15)13-18-10/h3-6H,1-2H3,(H,14,15) |
| InChIKey | XIPXHDKCCWLQEV-UHFFFAOYSA-N |
| SMILES | COc1ccc(cc1OC)-c2cc(no2)C(O)=O |
Safety Information
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |