Base information
| Cat. No. | |
| CAS No. | 130000-78-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H14N2O |
| Molecular Weight | 166.22 |
| Exact Mass | 166.111 |
| XLogP3 | 1.866 |
| Mr | 48.3344 |
| PSA | 48.14 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1c(C)cnc(c1C)CN |
