Base information
| Cat. No. | |
| CAS No. | 1558-81-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.152 |
| Exact Mass | 139.063 |
| XLogP3 | 0.85328 |
| Mr | 34.423 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCOC(=O)C1(CC1)C#N |
