Base information
| Cat. No. | |
| CAS No. | 5459-58-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.168 |
| Exact Mass | 141.079 |
| XLogP3 | 1.24338 |
| Mr | 36.797 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 0 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCCCOC(=O)CC#N |
