Base information
| Cat. No. | |
| CAS No. | 52062-26-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO5 |
| Molecular Weight | 197.145 |
| Exact Mass | 197.032 |
| XLogP3 | 0.4866 |
| Mr | 44.6476 |
| PSA | 96.72 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 21 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1cc(nc(c1)C(=O)O)C(=O)O |
