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Furfural

CAT: 1596-AR-F02208-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F02208-01Size:50 Units
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CAS Number
98-01-1
Synonyms
Furan-2-carbaldehyde;2-Furancarboxaldehyde; 2-Furaldehyde; 2-Formylfuran; 2-Furanaldehyde; 2-Furancarbaldehyde; 2-Furancarbonal; 2-Furfural; 2-Furfuraldehyde; 2-Furylaldehyde; 2-Furylcarboxaldehyde; Artificial ant oil; Fural; Furaldehyde; Furan-2-carboxaldehyde; Furancarbonal; Furfuraldehyde; Furfurol; Furfurole; Furfurylaldehyde; Furole; NSC 8841; Pyromucic aldehyde; ?-Furole; Furfural
Molecular Formula
C5H4O2
Molecular Weight
96.09
API Name
Furfural

Chemical Information

Furfural

Furfural is an aldehyde that is furan with the hydrogen at position 2 substituted by a formyl group. It has a role as a metabolite and a Maillard reaction product. It is an aldehyde and a member of furans. It is functionally related to a furan.

CAS Number98-01-1
PubChem CID7362
IUPAC Namefuran-2-carbaldehyde
Molecular FormulaC5H4O2
Molecular Weight96.08
XLogP0.4
Topological Polar Surface Area30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity70
SMILES
C1=COC(=C1)C=O
InChI
InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
InChIKey
HYBBIBNJHNGZAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Furfural
CAS: 98-01-1
CID: 7362
Formula: C5H4O2
MW: 96.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight96.08
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass96.021129366
Monoisotopic Mass96.021129366
Topological Polar Surface Area30.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity70.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes