Base information
| Cat. No. | |
| CAS No. | 114-76-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7NaO3 |
| Molecular Weight | 186.14 |
| Exact Mass | 186.029 |
| XLogP3 | -0.4519 |
| Mr | 41.0515 |
| PSA | 57.2 |
| Sequence | - |
| Atom number | 20 |
| Bond number | 19 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=C(C(=O)[O-])Cc1ccccc1.[Na+] |
