Base information
| Cat. No. | |
| CAS No. | 111511-90-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.151 |
| Exact Mass | 136.064 |
| XLogP3 | 0.83036 |
| Mr | 33.972 |
| PSA | 56.81 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#CC1(CCOCC1)C#N |
