3,4-Furandicarboxylic Acid

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Catalog Number
ACM-MO-3387266
Product Name
3,4-Furandicarboxylic Acid
Structure
Structure
CAS
3387-26-6
Category
Heterocyclic Organic Compound
Synonyms
furan-3,4-dicarboxylic acid; furan-3,4-dicarboxylic acid
IUPAC Name
furan-3,4-dicarboxylic acid
Molecular Weight
156.09 g/mol
Molecular Formula
C6H4O5
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
Melting Point
217-218 °C
Flash Point
179.2 ºC
Density
1.604 g/cm³
Appearance
Off-white powder
Complexity
167
CompoundIs Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
EC Number
222-210-3
Exact Mass
156.00587322g/mol
Formal Charge
0
Hazard Statements
C: Corrosive;
H-Bond Acceptor
5
H-Bond Donor
2
Heavy Atom Count
11
Hydrogen Bond Acceptor Count
5
Hydrogen Bond Donor Count
2
Isotope Atom Count
0
Monoisotopic Mass
156.00587322g/mol
NSC Number
629037;191922
Rotatable Bond Count
2
SpecificGravity
1.604±0.06
Topological Polar Surface Area
87.7Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
0
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