Base information
| Cat. No. | |
| CAS No. | 33630-96-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.141 |
| Exact Mass | 124.064 |
| XLogP3 | 0.5487 |
| Mr | 36.3684 |
| PSA | 48.02 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc(=O)n(c1)C |
