Base information
| Cat. No. | |
| CAS No. | 70988-03-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.226 |
| Exact Mass | 188.095 |
| XLogP3 | 1.84898 |
| Mr | 55.3995 |
| PSA | 44.1 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CN(c1ccc(cc1)C(=O)CC#N)C |
