Base information
| Cat. No. | |
| CAS No. | 1608-82-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H9NO2 |
| Molecular Weight | 127.141 |
| Exact Mass | 127.063 |
| XLogP3 | 0.68668 |
| Mr | 32.401 |
| PSA | 42.25 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 17 |
| Ring number | 0 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COCC(=COC)C#N |
