Base information
| Cat. No. | |
| CAS No. | 16948-39-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H24N2O7 |
| Molecular Weight | 416.424 |
| Exact Mass | 416.158 |
| XLogP3 | 4.5244 |
| Mr | 110.498 |
| PSA | 119.68 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 55 |
| Ring number | 2 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | O=C([C@@H](NC(=O)OC(C)(C)C)COCc1ccccc1)Oc1ccc(cc1)[N+](=O)[O-] |
