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(2-Methoxyethoxy) Acetaldehyde Dimethyl Acetal

CAT: 0127-OR1030449-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1030449-01Size:5 g
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CAS Number
94158-44-8
Synonyms
1,1-dimethoxy-2- (2-methoxyethoxy) ethane
Purity
98%
Smiles
COCCOCC(OC)OC

Chemical Information

1,1-Dimethoxy-2-(2-methoxyethoxy)ethane
CAS Number94158-44-8
PubChem CID56738
IUPAC Name1,1-dimethoxy-2-(2-methoxyethoxy)ethane
Molecular FormulaC7H16O4
Molecular Weight164.20
XLogP-0.2
Topological Polar Surface Area36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count11
Formal Charge0
Complexity72
SMILES
COCCOCC(OC)OC
InChI
InChI=1S/C7H16O4/c1-8-4-5-11-6-7(9-2)10-3/h7H,4-6H2,1-3H3
InChIKey
JPOUJDLGAPEXAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,1-Dimethoxy-2-(2-methoxyethoxy)ethane
CAS: 94158-44-8
CID: 56738
Formula: C7H16O4
MW: 164.20
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP3-0.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass164.10485899
Monoisotopic Mass164.10485899
Topological Polar Surface Area36.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity72.8
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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