Base information
| Cat. No. | |
| CAS No. | 53055-04-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.161 |
| Exact Mass | 183.053 |
| XLogP3 | 1.6189 |
| Mr | 47.8838 |
| PSA | 75.28 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OCc1cccc(c1[N+](=O)[O-])OC |
