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2- (2-Methoxyethoxy) ethanol

CAT: 0926-FM37064-02Size: 1 KgDry Ice: NoHazardous: No
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CAT#:0926-FM37064-02Size:1 Kg
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CAS Number
111-77-3
MDL Number
MFCD00002871
Smiles
COCCOCCO
Molecular Formula
C5H12O3
Molecular Weight
120.15 g/mol
Controlled
No

Chemical Information

Diethylene Glycol Monomethyl Ether

2-(2-methoxyethoxy)ethanol is a hydroxypolyether that is the monomethyl ether derivative of diethylene glycol. It has a role as a solvent and a teratogenic agent. It is a glycol ether, a diether and a hydroxypolyether. It is functionally related to a diethylene glycol.

CAS Number111-77-3
PubChem CID8134
IUPAC Name2-(2-methoxyethoxy)ethanol
Molecular FormulaC5H12O3
Molecular Weight120.15
XLogP-0.9
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count8
Formal Charge0
Complexity38
SMILES
COCCOCCO
InChI
InChI=1S/C5H12O3/c1-7-4-5-8-3-2-6/h6H,2-5H2,1H3
InChIKey
SBASXUCJHJRPEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethylene Glycol Monomethyl Ether
CAS: 111-77-3
CID: 8134
Formula: C5H12O3
MW: 120.15
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.15
XLogP3-0.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass120.078644241
Monoisotopic Mass120.078644241
Topological Polar Surface Area38.7 Ų
Heavy Atom Count8
Formal Charge0
Complexity38.7
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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