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α-Ethyl-4,4'-dimethoxychalcone

CAT: 0024-sc-391763Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-391763Size:25 mg
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CAS Number
90-92-6

Chemical Information

1-(4-Methoxyphenyl)-2-((4-methoxyphenyl)methylene)-1-butanone, (E)-
CAS Number90-92-6
PubChem CID5354347
IUPAC Name(2E)-1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]butan-1-one
Molecular FormulaC19H20O3
Molecular Weight296.4
XLogP4.4
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity372
SMILES
CC/C(=C\C1=CC=C(C=C1)OC)/C(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C19H20O3/c1-4-15(13-14-5-9-17(21-2)10-6-14)19(20)16-7-11-18(22-3)12-8-16/h5-13H,4H2,1-3H3/b15-13+
InChIKey
RIAYGXNEKYIZQL-FYWRMAATSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Methoxyphenyl)-2-((4-methoxyphenyl)methylene)-1-butanone, (E)-
CAS: 90-92-6
CID: 5354347
Formula: C19H20O3
MW: 296.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.4
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass296.14124450
Monoisotopic Mass296.14124450
Topological Polar Surface Area35.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity372
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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