Base information
| Cat. No. | |
| CAS No. | 172161-92-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H6N2O5 |
| Molecular Weight | 222.154 |
| Exact Mass | 222.028 |
| XLogP3 | 1.3994 |
| Mr | 57.4702 |
| PSA | 101.22 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc([N+](=O)[O-])c2c(c1)C(=O)C(=O)N2 |
