Base information
| Cat. No. | |
| CAS No. | 1112850-40-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.193 |
| Exact Mass | 168.09 |
| XLogP3 | 1.2578 |
| Mr | 44.8944 |
| PSA | 57.37 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1nc(CN)ccc1OC |
