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Ethylene-d4 Glycol

CAT: 0572-TRC-E917522-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-E917522-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2219-51-4
Hazard Statement
Harmful if swallowed
Smiles
[2H]C([2H])(O)C([2H])([2H])O
Molecular Formula
C2 2H4 H2 O2
Molecular Weight
66.09
InChI
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2
Additionnal Information
IUPAC name: 1,1,2,2-tetradeuterioethane-1,2-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2-Ethane-1,1,2,2-d4-diol
CAS Number2219-51-4
PubChem CID2733137
IUPAC Name1,1,2,2-tetradeuterioethane-1,2-diol
Molecular FormulaC2H6O2
Molecular Weight66.09
XLogP-1.4
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count4
Formal Charge0
Complexity6
SMILES
[2H]C([2H])(C([2H])([2H])O)O
InChI
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2
InChIKey
LYCAIKOWRPUZTN-LNLMKGTHSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Ethane-1,1,2,2-d4-diol
CAS: 2219-51-4
CID: 2733137
Formula: C2H6O2
MW: 66.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight66.09
XLogP3-1.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass66.061886414
Monoisotopic Mass66.061886414
Topological Polar Surface Area40.5 Ų
Heavy Atom Count4
Formal Charge0
Complexity6
Isotope Atom Count4
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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