Base information
| Cat. No. | |
| CAS No. | 81998-04-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12N2O |
| Molecular Weight | 200.236 |
| Exact Mass | 200.095 |
| XLogP3 | 1.9443 |
| Mr | 58.5618 |
| PSA | 46.01 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OCc1ccnc(c1)c1nccc(c1)C |
