Base information
| Cat. No. | |
| CAS No. | 605661-10-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N3O2 |
| Molecular Weight | 227.219 |
| Exact Mass | 227.069 |
| XLogP3 | 3.32876 |
| Mr | 64.081 |
| PSA | 93.4 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCC(=C(C#N)C#N)c1ccc(cc1)[N+](=O)[O-] |
