Base information
| Cat. No. | |
| CAS No. | 46177-21-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H6N2O |
| Molecular Weight | 170.167 |
| Exact Mass | 170.048 |
| XLogP3 | 1.53266 |
| Mr | 45.7485 |
| PSA | 64.65 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CC(C(=O)c1ccccc1)C#N |
