Base information
| Cat. No. | |
| CAS No. | 89791-96-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C7H7NO4 |
| Molecular Weight | 169.135 |
| Exact Mass | 169.038 |
| XLogP3 | 1.8376 |
| Mr | 44.276 |
| PSA | 86.28 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(O)c(c(c1)[N+](=O)[O-])O |
