Base information
| Cat. No. | |
| CAS No. | 41729-52-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N4O |
| Molecular Weight | 150.138 |
| Exact Mass | 150.054 |
| XLogP3 | 0.4146 |
| Mr | 41.1188 |
| PSA | 87.56 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Nc1cc2nc[nH]c2c(=O)[nH]1 |
