Tetrahydrofuran-2,5-dicarboxylic acid
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Basic information
- CAS
6338-43-8- Standard SMILES
O=C(O)C1CCC(C(=O)O)O1- InChIKey
CWZQRDJXBMLSTF-UHFFFAOYSA-N- Molecular formula
- C6H8O5
- Average molar mass
- 160.12 g/mol
- Monoisotopic mass
- 160.03717335
Names & identifiers
- Preferred name
- Tetrahydrofuran-2,5-dicarboxylic acid
- IUPAC
- oxolane-2,5-dicarboxylic acid
- English name
- 2,5-Furandicarboxylic acid, tetrahydro-
- Molecular formula
- C6H8O5
- Molecular weight
- 160.12
Names & synonyms
Tetrahydrofuran-2,5-dicarboxylic acid6338-43-8oxolane-2,5-dicarboxylic acid2,5-Furandicarboxylic acid, tetrahydro-MFCD00997640MLS002608269Tetrahydrofuran-2,5-dicarboxylic Acid (>80%)TETRAHYDRO-2,5-FURANDICARBOXYLIC ACID (TRANS)2,5-BiscarboxytetrahydrofuranNSC407432,5-tetrahydrofurandicarboxylic acidSCHEMBL38319
Show more names
2,5-Anhydro-3,4-dideoxyhexaric acidHexaric acid, 2,5-anhydro-3,4-dideoxy-Tetrahydrofuran-2,5-dicarboxylic acid - [T72294]
oxolane-2,5-dicarboxylicacidorb3214890CHEMBL1725271CWZQRDJXBMLSTF-UHFFFAOYSA-NHMS3078D12NSC 40743NSC-40743AKOS006274537
Database identifiers
- CAS
6338-43-8- PubChem CID
- 237334
- ChEMBL
CHEMBL1725271
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Physicochemical properties
- Melting point
- 106 · 106 - 109°C
- Boiling point
- 425.5 · 425.5±45.0 °C(Predicted)
- Density
- 1.535 · 1.535±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Aqueous Base (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 3.04 · 3.04±0.40(Predicted)
- color
- White to Pale Brown
- InChI
- InChI=1S/C6H8O5/c7-5(8)3-1-2-4(11-3)6(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)
- InChIKey
- CWZQRDJXBMLSTF-UHFFFAOYSA-N
- SMILES
- O1C(C(O)=O)CCC1C(O)=O
Chemistry & industry
Applications
UsesTetrahydrofuran-2,5-dicarboxylic Acid (>80%) is used in preparation of Adipic Acid.
Related reactions
2 records
Compound notes
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