Base information
| Cat. No. | |
| CAS No. | 156329-62-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.163 |
| Exact Mass | 151.063 |
| XLogP3 | 0.85328 |
| Mr | 36.856 |
| PSA | 50.09 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)C12CC(C1)(C2)C#N |
