Base information
| Cat. No. | |
| CAS No. | 54173-39-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H13NO6 |
| Molecular Weight | 255.224 |
| Exact Mass | 255.074 |
| XLogP3 | 2.3464 |
| Mr | 64.9345 |
| PSA | 90.58 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 31 |
| Ring number | 1 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C(=O)C)c(c(c1OC)OC)[N+](=O)[O-] |
