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1,4-Dioxane-d8

CAT: 0931-TMIJ-0355-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0355-02Size:5 mg
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CAS Number
17647-74-4
Bioactivity
1,4-Dioxane-d8 is a deuterated compound of 1,4-Dioxane. 1,4-Dioxane has a CAS number of 123-91-1.
Smiles
C1([2H])([2H])OC(C([2H])([2H])OC1([2H])[2H])([2H])[2H]
Molecular Formula
C4D8H0O2
Molecular Weight
96.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,4-Dioxane-(2LH8)
CAS Number17647-74-4
PubChem CID87209
IUPAC Name2,2,3,3,5,5,6,6-octadeuterio-1,4-dioxane
Molecular FormulaC4H8O2
Molecular Weight96.15
XLogP-0.3
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity26
SMILES
[2H]C1(C(OC(C(O1)([2H])[2H])([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C4H8O2/c1-2-6-4-3-5-1/h1-4H2/i1D2,2D2,3D2,4D2
InChIKey
RYHBNJHYFVUHQT-SVYQBANQSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dioxane-(2LH8)
CAS: 17647-74-4
CID: 87209
Formula: C4H8O2
MW: 96.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight96.15
XLogP3-0.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass96.102643461
Monoisotopic Mass96.102643461
Topological Polar Surface Area18.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity26.5
Isotope Atom Count8
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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