Basic information
- Standard SMILES
Cc1oc(C)c(-c2c(C)oc(C)c2C(=O)O)c1C(=O)O- InChIKey
RWPFMBDRHVLLHI-UHFFFAOYSA-N- Molecular formula
- C14H14O6
- Average molar mass
- 278.26 g/mol
Names & identifiers
- Preferred name
- 4-(4-Carboxy-2,5-dimethylfuran-3-yl)-2,5-dimethylfuran-3-carboxylic acid
- IUPAC
- 4-(4-carboxy-2,5-dimethylfuran-3-yl)-2,5-dimethylfuran-3-carboxylic acid
- English name
- 4,4'-bis[2,5-dimethyl-3-furoic acid]
- Molecular formula
- C14H14O6
- Molecular weight
- 278.26
Names & synonyms
4,4'-bis[2,5-dimethyl-3-furoic acid]AI-942/133319584-(4-carboxy-2,5-dimethylfuran-3-yl)-2,5-dimethylfuran-3-carboxylic acid[3,3'-Bifuran]-4,4'-dicarboxylic acid, 2,2',5,5'-tetramethyl-
Database identifiers
- CAS
353269-78-0
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 355.2 · 355.2±42.0 °C(Predicted)
- Density
- 1.322 · 1.322±0.06 g/cm3(Predicted)
- pka
- 3.98 · 3.98±0.46(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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