Base information
| Cat. No. | |
| CAS No. | 13166-10-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N2 |
| Molecular Weight | 106.125 |
| Exact Mass | 106.053 |
| XLogP3 | 1.36996 |
| Mr | 29.98 |
| PSA | 47.58 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 13 |
| Ring number | 0 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#CC(=C(C)C)C#N |
