3,4-Furandicarboxylic Acid

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Molecular Formula:

C6H4O5

Molecular Weight:

156.09

CAS Number:

3387-26-6

Catalog Number:

3387-26-6

Product Information

Molecular Formula:

C6H4O5

Molecular Weight:

156.09

Description

Applications: 3,4-Furandicarboxylic acid is a useful research chemical.

Synonyms

furan-3,4-dicarboxylic acid; furan-3,4-dicarboxylic acid

IUPAC Name

furan-3,4-dicarboxylic acid

Canonical SMILES

C1=C(C(=CO1)C(=O)O)C(=O)O

InChI

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

InChI Key

SYLAFCZSYRXBJF-UHFFFAOYSA-N

Boiling Point

372.6±27.0 °C (Predicted)

Melting Point

217-218 °C

Density

1.604±0.06 g/cm³(Predicted)

LogP

0.67600

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

156.00587322 g/mol

Monoisotopic Mass

156.00587322 g/mol

Topological Polar Surface Area

87.7Å²

Heavy Atom Count

Formal Charge

Complexity

167

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

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3,4-Furandicarboxylic Acid

Product Information

Computed Properties

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