Base information
| Cat. No. | |
| CAS No. | 552-62-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N4O2 |
| Molecular Weight | 166.137 |
| Exact Mass | 166.049 |
| XLogP3 | -1.0501 |
| Mr | 42.2364 |
| PSA | 83.54 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=c1[nH]c(=O)c2c([nH]1)ncn2C |
