Base information
| Cat. No. | |
| CAS No. | 6385-60-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6Na2O5 |
| Molecular Weight | 228.11 |
| Exact Mass | 228.001 |
| XLogP3 | -2.9442 |
| Mr | 36.612 |
| PSA | 89.49 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 20 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)C1C2C=CC(C1C(=O)[O-])O2.[Na+].[Na+] |
