Base information
| Cat. No. | |
| CAS No. | 515131-51-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H12N2O |
| Molecular Weight | 164.204 |
| Exact Mass | 164.095 |
| XLogP3 | 1.5961 |
| Mr | 47.1116 |
| PSA | 55.12 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CNC(=O)c1cccc(c1)CN |
