Base information
| Cat. No. | |
| CAS No. | 127350-68-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.163 |
| Exact Mass | 151.063 |
| XLogP3 | 0.11808 |
| Mr | 39.5806 |
| PSA | 64.25 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O[C@H]1C[C@@H](O)C=C/C/1=C\C#N |
