Base information
| Cat. No. | |
| CAS No. | 331714-58-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H4N2O |
| Molecular Weight | 156.141 |
| Exact Mass | 156.032 |
| XLogP3 | 1.24246 |
| Mr | 41.2595 |
| PSA | 64.65 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cc(C#N)cc(c1)C#N |
