Base information
| Cat. No. | |
| CAS No. | 1438382-15-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H12N2O2 |
| Molecular Weight | 168.193 |
| Exact Mass | 168.09 |
| XLogP3 | 0.8509 |
| Mr | 46.1941 |
| PSA | 68.11 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C)[nH]c(=O)c1CN |
