Base information
| Cat. No. | |
| CAS No. | 5307-17-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H9NO5 |
| Molecular Weight | 211.171 |
| Exact Mass | 211.048 |
| XLogP3 | 1.9132 |
| Mr | 53.0355 |
| PSA | 81.35 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cccc(c1[N+](=O)[O-])OC |
