686766-52-9
| Name | (2S,4S)-1-(TERT-BUTOXYCARBONYL)-4-(2-FLUORO-PHENOXY)-2-PYRROLIDINECARBOXYLIC ACID |
| CAS | 686766-52-9 |
| Molecular Formula | C16H20FNO5 |
| MDL Number | MFCD08687112 |
| Molecular Weight | 325.33 |
| MOL File | 686766-52-9.mol |
Chemical Properties
| Boiling point | 463.6±45.0 °C(Predicted) |
| density | 1.286±0.06 g/cm3(Predicted) |
| form | solid |
| pka | 3.66±0.40(Predicted) |
| InChI | 1S/C16H20FNO5/c1-16(2,3)23-15(21)18-9-10(8-12(18)14(19)20)22-13-7-5-4-6-11(13)17/h4-7,10,12H,8-9H2,1-3H3,(H,19,20)/t10-,12-/m0/s1 |
| InChIKey | AUSMQEAACFWSDK-JQWIXIFHSA-N |
| SMILES | FC1=C(O[C@@H]2CN(C(OC(C)(C)C)=O)[C@H](C(O)=O)C2)C=CC=C1 |
Safety Data
| Hazard Codes | Xi |
| WGK Germany | WGK 3 |
| HazardClass | IRRITANT |
| Storage Class | 11 - Combustible Solids |