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Diethyleneglycol Monoethyl-d5 Ether

CAT: 0572-TRC-D444356-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D444356-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1219804-11-1
Synonyms
Diethyleneglycol Monoethyl-d5 Ether; Diethyleneglycol Monoethyl Ether-d5; Diethyleneglycol Monoethyl Ether-D5 (ethoxy-D5); 2-[2-(Ethoxy-d5)ethoxy]ethanol; 3,6-Dioxa-1-octanol-7,7,8,8,8-d5
Hazard Statement
Combustible liquid
Purity
>95% (GC)
Smiles
[2H]C([2H])([2H])C([2H])([2H])OCCOCCO
Molecular Formula
C6 D5 H9 O3
Molecular Weight
139.204
InChI
InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3/i1D3,2D2
Additionnal Information
IUPAC name: 2-[2-(1,1,2,2,2-pentadeuterioethoxy)ethoxy]ethanol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Diethyleneglycol monoethyl-d5 ether
CAS Number1219804-11-1
PubChem CID92043219
IUPAC Name2-[2-(1,1,2,2,2-pentadeuterioethoxy)ethoxy]ethanol
Molecular FormulaC6H14O3
Molecular Weight139.20
XLogP-0.5
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count9
Formal Charge0
Complexity47
SMILES
[2H]C([2H])([2H])C([2H])([2H])OCCOCCO
InChI
InChI=1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3/i1D3,2D2
InChIKey
XXJWXESWEXIICW-ZBJDZAJPSA-N
Chemical Structure
2D Structure
2D structure of Diethyleneglycol monoethyl-d5 ether
CAS: 1219804-11-1
CID: 92043219
Formula: C6H14O3
MW: 139.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.20
XLogP3-0.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass139.125678034
Monoisotopic Mass139.125678034
Topological Polar Surface Area38.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity47.6
Isotope Atom Count5
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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