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1,4-DIOXENE

CAT: 0931-TD1276-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TD1276-02Size:10 mg
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CAS Number
543-75-9
Bioactivity
1,4-DIOXENE, with CAS No. 543-75-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. 1,4-DIOXENE provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
C1COC=CO1
Molecular Formula
C4H6O2
Molecular Weight
86.0892
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Dioxene
CAS Number543-75-9
PubChem CID136353
IUPAC Name2,3-dihydro-1,4-dioxine
Molecular FormulaC4H6O2
Molecular Weight86.09
XLogP0.2
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity50
SMILES
C1COC=CO1
InChI
InChI=1S/C4H6O2/c1-2-6-4-3-5-1/h1-2H,3-4H2
InChIKey
HIZVCIIORGCREW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dioxene
CAS: 543-75-9
CID: 136353
Formula: C4H6O2
MW: 86.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight86.09
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass86.036779430
Monoisotopic Mass86.036779430
Topological Polar Surface Area18.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity50.6
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
OR1023055-011,4-Dioxene
HCA25340-012-Chloro-2-dioxene
PC22952,3-Bis (trifluoromethyl) thieno[3,4-b][1,4]dioxene-5,7-carboxylic acid
OR1008855-01[1,1:4,1:4,1:4,1:4,1-Sexiphenyl]-4,4-Dicarboxylic Acid
OR76183-01[1,1':4',1'':4'',1'''-Quaterphenyl]-4,4'''-diamine
110677-45-7[1,1',4',1",4",1-Quaterphenyl]-4,4'''-dicarbonaldehyde
OR81165-01[1,1':4',1'':4'',1'''-quaterphenyl]-4,4'''-dicarbaldehyde
PC4652-011,1,1,4,4,4-Hexafluorobutane
410548-01[1,1':4',1'':4'',1'''-Quaterphenyl]-4,4'''-dicarboxylic Acid
TRC-Q872650-50MG[1,1′:4′,1′′:4′′,1′′′-Quaterphenyl]-4-thiol.

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