Base information
| Cat. No. | |
| CAS No. | 66148-15-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C6HD4NO2 |
| Molecular Weight | 127.134 |
| Exact Mass | 127.057 |
| XLogP3 | 0.7798 |
| Mr | 31.1963 |
| PSA | 50.19 |
| Sequence | - |
| Atom number | 14 |
| Bond number | 14 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | [2H]c1nc([2H])c(c(c1[2H])[2H])C(=O)O |
