Base information
| Cat. No. | |
| CAS No. | 160754-12-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NO |
| Molecular Weight | 123.152 |
| Exact Mass | 123.068 |
| XLogP3 | 0.67438 |
| Mr | 34.8358 |
| PSA | 44.02 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 17 |
| Ring number | 0 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | CCCC#C[C@@H](C#N)O |
