869682-08-6
| Name | (2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-(4-FLUORO-2-METHYLPHENOXY)-2-PYRROLIDINECARBOXYLIC ACID |
| CAS | 869682-08-6 |
| Molecular Formula | C17H22FNO5 |
| MDL Number | MFCD08687111 |
| Molecular Weight | 339.36 |
| MOL File | 869682-08-6.mol |
Chemical Properties
| Boiling point | 476.8±45.0 °C(Predicted) |
| density | 1.260±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 3.70±0.40(Predicted) |
| InChI | 1S/C17H22FNO5/c1-10-7-11(18)5-6-14(10)23-12-8-13(15(20)21)19(9-12)16(22)24-17(2,3)4/h5-7,12-13H,8-9H2,1-4H3,(H,20,21)/t12-,13-/m0/s1 |
| InChIKey | VIULPKYIUHVNCZ-STQMWFEESA-N |
| SMILES | FC1=CC(C)=C(O[C@@H]2CN(C(OC(C)(C)C)=O)[C@H](C(O)=O)C2)C=C1 |
Safety Data
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |