2,5-Furandicarboxylic Acid

• CAS: 3238-40-2
• Catalog Number: ACM-MO-3238402
• Category: Furans; Dicarboxylic Acid Monomers
• Molecular Weight: 156.09 g/mol
• Molecular Formula: C6H4O5
• Description: Solid
• Synonyms: Dehydromucic acid
• IUPAC Name: Furan-2,5-dicarboxylic acid
• Canonical SMILES: C1=C(OC(=C1)C(=O)O)C(=O)O
• InChI: InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10)
• InChI Key: CHTHALBTIRVDBM-UHFFFAOYSA-N
• Boiling Point: 240.29 °C
• Melting Point: 320 °C
• Flash Point: 168 °F
• Density: 1.74 g/cm³
• Solubility: 1 mg/mL at 18 °C
• Appearance: White to Almost White Powder to Crystal
• Storage: Keep in dark place, sealed in dry, room temperature
• Complexity: 167
• Covalently-Bonded Unit Count: 1
• EC Number: 221-800-8
• Exact Mass: 156.00587322
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 11
• Monoisotopic Mass: 156.00587322
• NSC Number: 40740
• Physical State: Solid
• pKa: 2.28±0.10(Predicted)
• Refractive Index: 1.64
• Rotatable Bond Count: 2
• Topological Polar Surface Area: 87.7 Ų
• UNII: 73C4JJ695C
• XLogP3: 0.7

Custom Q&A

What is the molecular formula of 2,5-Furandicarboxylic acid?

The molecular formula is C6H4O5.

What is the molecular weight of 2,5-Furandicarboxylic acid?

The molecular weight is 156.09 g/mol.

What is the IUPAC name of 2,5-Furandicarboxylic acid?

The IUPAC name is furan-2,5-dicarboxylic acid.

What is the InChI of 2,5-Furandicarboxylic acid?

The InChI is InChI=1S/C6H4O5/c7-5(8)3-1-2-4(11-3)6(9)10/h1-2H,(H,7,8)(H,9,10).

What is the InChIKey of 2,5-Furandicarboxylic acid?

The InChIKey is CHTHALBTIRVDBM-UHFFFAOYSA-N.

What is the canonical SMILES of 2,5-Furandicarboxylic acid?

The canonical SMILES is C1=C(OC(=C1)C(=O)O)C(=O)O.

What is the CAS number of 2,5-Furandicarboxylic acid?

The CAS number is 3238-40-2.

What is the European Community (EC) number of 2,5-Furandicarboxylic acid?

The European Community (EC) number is 221-800-8.

What is the UNII of 2,5-Furandicarboxylic acid?

The UNII is 73C4JJ695C.

What is the Wikipedia page for 2,5-Furandicarboxylic acid?

The Wikipedia page is "2,5-Furandicarboxylic_acid".