869682-09-7
| Name | 1,2-Pyrrolidinedicarboxylic acid, 4-[3-(trifluoromethyl)phenoxy]-, 1-(1,1-dimethylethyl) ester, (2S,4S)- |
| CAS | 869682-09-7 |
| Molecular Formula | C17H20F3NO5 |
| Molecular Weight | 375.34 |
| MOL File | 869682-09-7.mol |
Chemical Properties
| Boiling point | 462.3±45.0 °C(Predicted) |
| density | 1.330±0.06 g/cm3(Predicted) |
| form | powder |
| pka | 3.69±0.40(Predicted) |
| InChI | 1S/C17H20F3NO5/c1-16(2,3)26-15(24)21-9-12(8-13(21)14(22)23)25-11-6-4-5-10(7-11)17(18,19)20/h4-7,12-13H,8-9H2,1-3H3,(H,22,23)/t12-,13-/m0/s1 |
| InChIKey | VFLUPEOVUJOYOE-STQMWFEESA-N |
| SMILES | FC(F)(C1=CC(O[C@@H]2CN(C(OC(C)(C)C)=O)[C@H](C(O)=O)C2)=CC=C1)F |