Base information
| Cat. No. | |
| CAS No. | 6277-02-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H11NO |
| Molecular Weight | 173.211 |
| Exact Mass | 173.084 |
| XLogP3 | 2.27288 |
| Mr | 50.585 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CCC(=O)C(c1ccccc1)C#N |
