Base information
| Cat. No. | |
| CAS No. | 171780-79-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.188 |
| Exact Mass | 162.079 |
| XLogP3 | 1.8799 |
| Mr | 47.5517 |
| PSA | 37.91 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C)c2c(n1)cc[nH]2 |
