Base information
| Cat. No. | |
| CAS No. | 214476-08-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N3O4 |
| Molecular Weight | 259.218 |
| Exact Mass | 259.059 |
| XLogP3 | 2.64218 |
| Mr | 68.602 |
| PSA | 111.96 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOc1cc2ncc(c(c2cc1[N+](=O)[O-])O)C#N |
