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2,2′-oxybisethanol

CAT: 1596-AR-E02056-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E02056-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111-46-6
Synonyms
2,2'-oxydiethanol;1,5-Dihydroxy-3-oxapentane; 2-Hydroxyethoxyethanol; 3-Oxapentamethylene-1,5-diol; 3-Oxapentane-1,5-diol; Ethylene Diglycol; NSC 36391; Diethylene Glycol; 1,5-Dihydroxy-3-oxapentane
Molecular Formula
C4H10O3
Molecular Weight
106.12
API Name
Ethylene Glycol

Chemical Information

Diethylene Glycol

Diethylene glycol is a hydroxyether.

CAS Number111-46-6
PubChem CID8117
IUPAC Name2-(2-hydroxyethoxy)ethanol
Molecular FormulaC4H10O3
Molecular Weight106.12
XLogP-1.3
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity26
SMILES
C(COCCO)O
InChI
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKey
MTHSVFCYNBDYFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethylene Glycol
CAS: 111-46-6
CID: 8117
Formula: C4H10O3
MW: 106.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight106.12
XLogP3-1.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass106.062994177
Monoisotopic Mass106.062994177
Topological Polar Surface Area49.7 Ų
Heavy Atom Count7
Formal Charge0
Complexity26.1
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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