Base information
| Cat. No. | |
| CAS No. | 1198-99-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H5N3O2 |
| Molecular Weight | 163.133 |
| Exact Mass | 163.038 |
| XLogP3 | 0.4249 |
| Mr | 40.3547 |
| PSA | 71.78 |
| Sequence | - |
| Atom number | 17 |
| Bond number | 18 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=c1o[nH]c(n1)c1cccnc1 |
