HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-(4-Carboxy-2,5-dimethylfuran-3-yl)-2,5-dimethylfuran-3-carboxylic acid
4,4'-bis[2,5-dimethyl-3-furoic acid] · [3,3'-Bifuran]-4,4'-dicarboxylic acid, 2,2',5,5'-tetramethyl-

Identifiers & Physical Properties
| CAS No. | 353269-78-0 |
|---|---|
| Molecular formula | C14H14O6 |
| Average molar mass | 278.26 g/mol |
| SMILES | Cc1oc(C)c(-c2c(C)oc(C)c2C(=O)O)c1C(=O)O |
| InChIKey | RWPFMBDRHVLLHI-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 101 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 20 |
| Formal charge | 0 |
| Complexity | 370 |
| Boiling point | 355.2±42.0 °C(Predicted) |
| Density | 1.322±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 3.98±0.46(Predicted) |