Base information
| Cat. No. | |
| CAS No. | 1558-82-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H8N2O |
| Molecular Weight | 112.13 |
| Exact Mass | 112.064 |
| XLogP3 | 0.92238 |
| Mr | 30.668 |
| PSA | 45.38 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 15 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=NC#N)OCC |
