Base information
| Cat. No. | |
| CAS No. | 138661-03-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H24N2O7 |
| Molecular Weight | 416.424 |
| Exact Mass | 416.158 |
| XLogP3 | 3.5768 |
| Mr | 112.724 |
| PSA | 119.68 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 56 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C1=C(C)NC(=C([C@@H]1c1ccccc1[N+](=O)[O-])C(=O)OC[C@H]1CCCO1)C |
