Base information
| Cat. No. | |
| CAS No. | 7530-31-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H10N2O |
| Molecular Weight | 162.188 |
| Exact Mass | 162.079 |
| XLogP3 | 2.0475 |
| Mr | 49.4921 |
| PSA | 55.12 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | C=CC(=O)Nc1ccc(cc1)N |
