Base information
| Cat. No. | |
| CAS No. | 1002243-79-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.137 |
| Exact Mass | 166.049 |
| XLogP3 | 1.22818 |
| Mr | 41.674 |
| PSA | 87.43 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-][N+](=O)c1cn(nc1)CCC#N |
