Base information
| Cat. No. | |
| CAS No. | 221349-79-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.16 |
| Exact Mass | 196.048 |
| XLogP3 | 1.6425 |
| Mr | 49.9045 |
| PSA | 85.01 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1nc(C)cc(c1[N+](=O)[O-])C=O |
