Base information
| Cat. No. | |
| CAS No. | 5652-84-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H6N2O |
| Molecular Weight | 98.1032 |
| Exact Mass | 98.048 |
| XLogP3 | 0.53228 |
| Mr | 25.861 |
| PSA | 45.38 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 12 |
| Ring number | 0 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CC(=NC#N)OC |
