Base information
| Cat. No. | |
| CAS No. | 131052-84-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.141 |
| Exact Mass | 124.064 |
| XLogP3 | 0.5339 |
| Mr | 34.7361 |
| PSA | 58.88 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 17 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | NCc1ccc(=O)[nH]c1 |
