Base information
| Cat. No. | |
| CAS No. | 77252-56-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O3 |
| Molecular Weight | 180.161 |
| Exact Mass | 180.053 |
| XLogP3 | 2.7036 |
| Mr | 50.1247 |
| PSA | 74.92 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=CNc1cc(ccc1C)[N+](=O)[O-] |
