Base information
| Cat. No. | |
| CAS No. | 7391-39-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.221 |
| Exact Mass | 169.11 |
| XLogP3 | 1.87948 |
| Mr | 46.411 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 26 |
| Ring number | 0 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCCCC(C(=O)OCC)C#N |
