Base information
| Cat. No. | |
| CAS No. | 847446-87-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8N2O3 |
| Molecular Weight | 228.204 |
| Exact Mass | 228.053 |
| XLogP3 | 2.9925 |
| Mr | 63.8825 |
| PSA | 75.78 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=Cc1ccc(cc1)c1ncccc1[N+](=O)[O-] |
