Base information
| Cat. No. | |
| CAS No. | 1647-11-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H7N |
| Molecular Weight | 81.1158 |
| Exact Mass | 81.0578 |
| XLogP3 | 1.47618 |
| Mr | 25.424 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 13 |
| Bond number | 12 |
| Ring number | 0 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CCC(=C)C#N |
