Base information
| Cat. No. | |
| CAS No. | 426219-43-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N2O |
| Molecular Weight | 122.125 |
| Exact Mass | 122.048 |
| XLogP3 | 0.4695 |
| Mr | 31.5695 |
| PSA | 34.89 |
| Sequence | - |
| Atom number | 15 |
| Bond number | 16 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | C1CC(=O)c2n1cnc2 |
