Base information
| Cat. No. | |
| CAS No. | 4849-90-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H9NO7 |
| Molecular Weight | 327.245 |
| Exact Mass | 327.038 |
| XLogP3 | 3.5569 |
| Mr | 85.3213 |
| PSA | 121.81 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 36 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc2c(c1)c1c3OCOc3cc(c1c(c2)[N+](=O)[O-])C(=O)O |
