Base information
| Cat. No. | |
| CAS No. | 104-98-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N2O2 |
| Molecular Weight | 138.124 |
| Exact Mass | 138.043 |
| XLogP3 | 0.5075 |
| Mr | 35.2575 |
| PSA | 65.98 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C=Cc1cnc[nH]1 |
