Base information
| Cat. No. | |
| CAS No. | 1261879-56-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NO3 |
| Molecular Weight | 177.157 |
| Exact Mass | 177.043 |
| XLogP3 | 1.05048 |
| Mr | 44.4595 |
| PSA | 70.32 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(cc1C#N)O |
