Base information
| Cat. No. | |
| CAS No. | 52923-48-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO |
| Molecular Weight | 147.174 |
| Exact Mass | 147.068 |
| XLogP3 | 1.28608 |
| Mr | 41.9328 |
| PSA | 44.02 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 20 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCC(c1ccccc1)C#N |
