Base information
| Cat. No. | |
| CAS No. | 28648-78-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6N2O2 |
| Molecular Weight | 150.135 |
| Exact Mass | 150.043 |
| XLogP3 | -0.042 |
| Mr | 37.012 |
| PSA | 59.92 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=CC(c1ccncn1)C=O |
