Base information
| Cat. No. | |
| CAS No. | 776277-28-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.125 |
| Exact Mass | 122.048 |
| XLogP3 | 1.31028 |
| Mr | 31.0964 |
| PSA | 62.95 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 15 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NCc1ccc(o1)C#N |
