Base information
| Cat. No. | |
| CAS No. | 1131041-58-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H6N4 |
| Molecular Weight | 134.139 |
| Exact Mass | 134.059 |
| XLogP3 | 0.6613 |
| Mr | 36.6497 |
| PSA | 54.46 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 17 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | Cc1n[nH]c2c1nccn2 |
