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Acrolein diethylacetal

CAT: 0063-28741769-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0063-28741769-25gSize:25 g
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CAS Number
3054-95-3
Molecular Formula
CH2=CHCH (OCH2CH3) 2
Molecular Weight
130.19
Formulation
CH2=CHCH (OCH2CH3) 2

Chemical Information

3,3-Diethoxy-1-propene

3,3-diethoxypropene appears as a colorless liquid with an agreeable odor. Very volatile. Less dense than water. Vapors heavier than air. Used as a solvent and to make cosmetics.

CAS Number3054-95-3
PubChem CID62477
IUPAC Name3,3-diethoxyprop-1-ene
Molecular FormulaC7H14O2
Molecular Weight130.18
XLogP1.4
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity65
SMILES
CCOC(C=C)OCC
InChI
InChI=1S/C7H14O2/c1-4-7(8-5-2)9-6-3/h4,7H,1,5-6H2,2-3H3
InChIKey
MCIPQLOKVXSHTD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3-Diethoxy-1-propene
CAS: 3054-95-3
CID: 62477
Formula: C7H14O2
MW: 130.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight130.18
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass130.099379685
Monoisotopic Mass130.099379685
Topological Polar Surface Area18.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity65.3
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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CatalogName
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FA15803-01Acetaldehyde diethylacetal
MBS6090241-01Betainealdehyde Diethylacetal Chloride
sc-2544613-Chloropropionaldehyde diethylacetal
OR10835-014-Bromophenoxyacetaldehyde diethylacetal
OR1021956-01Acrolein
OR65012-Ethoxyacetaldehyde diethylacetal
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OR6498-012- (Dimethylamino) acetaldehyde diethylacetal

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