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3-Hydroxy Furfural

CAT: 1596-AR-F11091-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F11091-01Size:10 Units
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CAS Number
59173-59-0
Synonyms
3-hydroxyfuran-2-carbaldehyde
Molecular Formula
C5H4O3
Molecular Weight
112.08
API Name
Furfural

Chemical Information

3-Hydroxyfuran-2-carbaldehyde
CAS Number59173-59-0
PubChem CID135755409
IUPAC Name3-hydroxyfuran-2-carbaldehyde
Molecular FormulaC5H4O3
Molecular Weight112.08
XLogP1
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity91
SMILES
C1=COC(=C1O)C=O
InChI
InChI=1S/C5H4O3/c6-3-5-4(7)1-2-8-5/h1-3,7H
InChIKey
ZDIZZJCWLCMMCS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxyfuran-2-carbaldehyde
CAS: 59173-59-0
CID: 135755409
Formula: C5H4O3
MW: 112.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.08
XLogP31
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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Alternative Products

CatalogName
116365-015-Hydroxy Methyl Furfural 99.0%
sc-2268755- (3-Chlorophenyl) furfural
sc-3366765- (3-Nitrophenyl) furfural
TRC-F864171-10MGFurfural-3,4,5-d3
sc-2331495- (3,4-Dichlorophenyl) furfural
sc-2331995-[3- (Trifluoromethyl) phenyl]furfural
sc-2268745- (3-Chloro-4-methoxyphenyl) furfural
TRC-F864171-50MGFurfural-3,4,5-d3 (stabilized with BHT)
MBS3610292Furfural
164251Furfural-d4

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