379250-83-6
| Name | 4-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOIC ACID |
| CAS | 379250-83-6 |
| Molecular Formula | C13H13NO4 |
| MDL Number | MFCD02654899 |
| Molecular Weight | 247.25 |
| MOL File | 379250-83-6.mol |
Chemical Properties
| Boiling point | 444.6±40.0 °C(Predicted) |
| density | 1.266±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 4.37±0.10(Predicted) |
| InChI | 1S/C13H13NO4/c1-8-12(9(2)18-14-8)7-17-11-5-3-10(4-6-11)13(15)16/h3-6H,7H2,1-2H3,(H,15,16) |
| InChIKey | FZZOXUGENAQGIJ-UHFFFAOYSA-N |
| SMILES | O=C(O)C(C=C1)=CC=C1OCC2=C(C)ON=C2C |
Safety Data
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |