Base information
| Cat. No. | |
| CAS No. | 110-67-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H7NO |
| Molecular Weight | 85.1045 |
| Exact Mass | 85.0528 |
| XLogP3 | 0.54648 |
| Mr | 22.176 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 12 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COCCC#N |
