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Furan-2,4-diyldimethanol

CAT: 0127-OR1024059-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1024059-01Size:100 mg
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CAS Number
294857-29-7
Synonyms
[4- (hydroxymethyl) furan-2-yl]methanol
Purity
99%
Smiles
C1=C(OC=C1CO)CO

Chemical Information

(Furan-2,4-diyl)dimethanol
CAS Number294857-29-7
PubChem CID20534504
IUPAC Name[4-(hydroxymethyl)furan-2-yl]methanol
Molecular FormulaC6H8O3
Molecular Weight128.13
XLogP-0.7
Topological Polar Surface Area53.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
C1=C(OC=C1CO)CO
InChI
InChI=1S/C6H8O3/c7-2-5-1-6(3-8)9-4-5/h1,4,7-8H,2-3H2
InChIKey
HKGMKJJFLRJMEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (Furan-2,4-diyl)dimethanol
CAS: 294857-29-7
CID: 20534504
Formula: C6H8O3
MW: 128.13
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.13
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass128.047344113
Monoisotopic Mass128.047344113
Topological Polar Surface Area53.6 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.4
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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