Base information
| Cat. No. | |
| CAS No. | 1591-37-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.162 |
| Exact Mass | 148.064 |
| XLogP3 | 1.73028 |
| Mr | 42.0534 |
| PSA | 59.04 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cccc(c1C#N)N |
