Base information
| Cat. No. | |
| CAS No. | 83101-12-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2 |
| Exact Mass | 161.084 |
| XLogP3 | 1.48318 |
| Mr | 46.8988 |
| PSA | 44.02 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 23 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCCCc1ccc(cc1)C#N |
