Base information
| Cat. No. | |
| CAS No. | 2826-26-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H8N2O |
| Molecular Weight | 184.194 |
| Exact Mass | 184.064 |
| XLogP3 | 2.12576 |
| Mr | 52.137 |
| PSA | 56.81 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)C=C(C#N)C#N |
