Base information
| Cat. No. | |
| CAS No. | 116212-46-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H8N2O |
| Molecular Weight | 148.162 |
| Exact Mass | 148.064 |
| XLogP3 | 0.8666 |
| Mr | 43.8207 |
| PSA | 37.79 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cn1ccc2c(c1=O)[nH]cc2 |
