Base information
| Cat. No. | |
| CAS No. | 1207-54-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H7KO6 |
| Molecular Weight | 250.247 |
| Exact Mass | 249.988 |
| XLogP3 | 0.8937 |
| Mr | 48.4319 |
| PSA | 111.9 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 22 |
| Ring number | 1 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | OC(=O)c1cc(ccc1C(=O)O)C(=O)O.[KH] |
