Base information
| Cat. No. | |
| CAS No. | 201008-71-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.141 |
| Exact Mass | 124.064 |
| XLogP3 | 0.839 |
| Mr | 33.9072 |
| PSA | 45.75 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=Cc1c(C)n[nH]c1C |
