Base information
| Cat. No. | |
| CAS No. | 67879-58-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H12O9 |
| Molecular Weight | 312.229 |
| Exact Mass | 312.048 |
| XLogP3 | -0.4471 |
| Mr | 70.6044 |
| PSA | 161.59 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 34 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O=C(O[C@H]([C@H](C(=O)O)O)C(=O)O)/C=C/c1ccc(c(c1)O)O |
