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4,5-Dimethyl-2-methoxyacetophenone

CAT: 0024-sc-323273Size: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-323273Size:5 g
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CAS Number
91969-74-3

Chemical Information

1-(2-Methoxy-4,5-dimethylphenyl)ethanone
CAS Number91969-74-3
PubChem CID821101
IUPAC Name1-(2-methoxy-4,5-dimethylphenyl)ethanone
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP2.3
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity189
SMILES
CC1=CC(=C(C=C1C)OC)C(=O)C
InChI
InChI=1S/C11H14O2/c1-7-5-10(9(3)12)11(13-4)6-8(7)2/h5-6H,1-4H3
InChIKey
OSBUMVWTNSHAAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-Methoxy-4,5-dimethylphenyl)ethanone
CAS: 91969-74-3
CID: 821101
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity189
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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Alternative Products

CatalogName
OR922611-014,5-Dimethyl-2-methoxyacetophenone
OR400279-013',5'-Dimethyl-4'-methoxyacetophenone
272429-012,4-Dihydroxy-5-methoxyacetophenone
OR1096134-012',5'-Dibromo-4'-methoxyacetophenone
MBS58250532,5-Dihydroxy-4-methoxyacetophenone
OR188022',4'-Dihydroxy-5'-methoxyacetophenone
PC4446-012'-Fluoro-4'-hydroxy-5'-methoxyacetophenone
OR4006082'-Bromo-5'-iodo-4'-methoxyacetophenone
OR4005845'-Bromo-2'-iodo-4'-methoxyacetophenone
OR1095649-012-Bromo-5-chloro-4-methoxyacetophenone

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