Base information
| Cat. No. | |
| CAS No. | 53055-15-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H20N2O6 |
| Molecular Weight | 360.361 |
| Exact Mass | 360.132 |
| XLogP3 | 3.4177 |
| Mr | 99.3317 |
| PSA | 110.45 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 47 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OC)C |
