Base information
| Cat. No. | |
| CAS No. | 1116229-11-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H17N3O4 |
| Molecular Weight | 279.292 |
| Exact Mass | 279.122 |
| XLogP3 | 1.798 |
| Mr | 83.023 |
| PSA | 78.6 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)C |
