Base information
| Cat. No. | |
| CAS No. | 1849196-57-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.142 |
| Exact Mass | 111.068 |
| XLogP3 | 0.67258 |
| Mr | 29.4928 |
| PSA | 44.02 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCCC1(CC1)C#N |
