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5-Hydroxyfuran-2-carbaldehyde

CAT: 0127-OR957412Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
107997-80-8
MDL Number
MFCD21800713
Purity
95%
Smiles
Oc1oc(C=O)cc1

Chemical Information

5-Hydroxyfuran-2-carbaldehyde
CAS Number107997-80-8
PubChem CID135697
IUPAC Name5-hydroxyfuran-2-carbaldehyde
Molecular FormulaC5H4O3
Molecular Weight112.08
XLogP0.8
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity91
SMILES
C1=C(OC(=C1)O)C=O
InChI
InChI=1S/C5H4O3/c6-3-4-1-2-5(7)8-4/h1-3,7H
InChIKey
QVYAWBLDJPTXHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Hydroxyfuran-2-carbaldehyde
CAS: 107997-80-8
CID: 135697
Formula: C5H4O3
MW: 112.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.08
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass112.016043985
Monoisotopic Mass112.016043985
Topological Polar Surface Area50.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity91.7
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

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