Base information
| Cat. No. | |
| CAS No. | 140647-01-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO6 |
| Molecular Weight | 213.144 |
| Exact Mass | 213.027 |
| XLogP3 | 1.5304 |
| Mr | 50.7383 |
| PSA | 112.58 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C(=O)O)c(cc1O)[N+](=O)[O-] |
