Base information
| Cat. No. | |
| CAS No. | 114-21-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7NaO3 |
| Molecular Weight | 174.129 |
| Exact Mass | 174.029 |
| XLogP3 | -0.5301 |
| Mr | 37.2063 |
| PSA | 60.36 |
| Sequence | - |
| Atom number | 19 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | OC(c1ccccc1)C(=O)[O-].[Na+] |
