Base information
| Cat. No. | |
| CAS No. | 171082-32-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H9N3O |
| Molecular Weight | 199.209 |
| Exact Mass | 199.075 |
| XLogP3 | 1.93654 |
| Mr | 52.299 |
| PSA | 80.6 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#CC(=C1OC(C(=C1C#N)C)(C)C)C#N |
