Base information
| Cat. No. | |
| CAS No. | 20876-28-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.171 |
| Exact Mass | 211.048 |
| XLogP3 | 1.7537 |
| Mr | 53.3008 |
| PSA | 92.35 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cccc(c1CC(=O)O)[N+](=O)[O-] |
