Base information
| Cat. No. | |
| CAS No. | 14631-45-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C5H9NO |
| Molecular Weight | 99.1311 |
| Exact Mass | 99.0684 |
| XLogP3 | 0.93498 |
| Mr | 26.983 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 15 |
| Ring number | 0 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(C#N)OCC |
