Base information
| Cat. No. | |
| CAS No. | 198821-78-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H8N2O4 |
| Molecular Weight | 220.182 |
| Exact Mass | 220.048 |
| XLogP3 | 2.7816 |
| Mr | 57.253 |
| PSA | 81.08 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1c1cnco1)[N+](=O)[O-] |
