Base information
| Cat. No. | |
| CAS No. | 14476-72-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H8N2O |
| Molecular Weight | 184.194 |
| Exact Mass | 184.064 |
| XLogP3 | 1.92276 |
| Mr | 50.5555 |
| PSA | 64.65 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CC(CC(=O)c1ccccc1)C#N |
