Base information
| Cat. No. | |
| CAS No. | 105-34-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C4H5NO2 |
| Molecular Weight | 99.088 |
| Exact Mass | 99.032 |
| XLogP3 | 0.07308 |
| Mr | 22.376 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 12 |
| Bond number | 11 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CC#N |
