Base information
| Cat. No. | |
| CAS No. | 69804-59-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NO4 |
| Molecular Weight | 181.145 |
| Exact Mass | 181.038 |
| XLogP3 | 0.1795 |
| Mr | 46.4455 |
| PSA | 78.79 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 21 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | O=C1Nc2ccc(cc2OC1O)O |
