Base information
| Cat. No. | |
| CAS No. | 118543-96-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H6N2O3 |
| Molecular Weight | 166.134 |
| Exact Mass | 166.038 |
| XLogP3 | 0.3774 |
| Mr | 39.1858 |
| PSA | 80.15 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CC(=O)c1cnc(cn1)C(=O)O |
