Base information
| Cat. No. | |
| CAS No. | 111760-37-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.194 |
| Exact Mass | 152.095 |
| XLogP3 | 1.1711 |
| Mr | 49.4144 |
| PSA | 37.2 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C1CNC(CN1)c1ccco1 |
