Base information
| Cat. No. | |
| CAS No. | 111851-98-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.141 |
| Exact Mass | 124.064 |
| XLogP3 | 0.7155 |
| Mr | 33.6835 |
| PSA | 34.89 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1nccn1CC |
