Base information
| Cat. No. | |
| CAS No. | 2047352-75-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H8N2O |
| Molecular Weight | 208.215 |
| Exact Mass | 208.064 |
| XLogP3 | 2.38216 |
| Mr | 58.6915 |
| PSA | 64.65 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 25 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#CC(=C1CC(=O)c2c1ccc(c2)C)C#N |
