Base information
| Cat. No. | |
| CAS No. | 21615-64-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6H7N3O3 |
| Molecular Weight | 169.138 |
| Exact Mass | 169.049 |
| XLogP3 | -0.2801 |
| Mr | 40.5416 |
| PSA | 98.07 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc(=O)[nH]c(n1)N |
