Base information
| Cat. No. | |
| CAS No. | 2698-69-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C10H9NO6 |
| Molecular Weight | 239.182 |
| Exact Mass | 239.043 |
| XLogP3 | 1.8644 |
| Mr | 58.6425 |
| PSA | 98.42 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1c(ccc(c1[N+](=O)[O-])C=O)OC(=O)C |
