Base information
| Cat. No. | |
| CAS No. | 52604-00-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H11NO5 |
| Molecular Weight | 249.219 |
| Exact Mass | 249.064 |
| XLogP3 | 2.2634 |
| Mr | 66.068 |
| PSA | 89.19 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CC(=O)C=Cc1cccc(c1)[N+](=O)[O-] |
