Base information
| Cat. No. | |
| CAS No. | 40465-45-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H4N2O |
| Molecular Weight | 144.13 |
| Exact Mass | 144.032 |
| XLogP3 | 1.52558 |
| Mr | 38.9385 |
| PSA | 53.22 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C=Nc1ccc(cc1)C#N |
