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(2,4-Dimethoxyphenyl) acetone

CAT: 0926-FD65824-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-FD65824-01Size:50 mg
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CAS Number
831-29-8
MDL Number
MFCD00192065
Smiles
CC (=O) CC1=C (C=C (C=C1) OC) OC
Molecular Formula
C11H14O3
Molecular Weight
194.23 g/mol
Controlled
No

Chemical Information

1-(2,4-Dimethoxyphenyl)propan-2-one
CAS Number831-29-8
PubChem CID592028
IUPAC Name1-(2,4-dimethoxyphenyl)propan-2-one
Molecular FormulaC11H14O3
Molecular Weight194.23
XLogP2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity191
SMILES
CC(=O)CC1=C(C=C(C=C1)OC)OC
InChI
InChI=1S/C11H14O3/c1-8(12)6-9-4-5-10(13-2)7-11(9)14-3/h4-5,7H,6H2,1-3H3
InChIKey
LDUYRQGNBYKUAG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,4-Dimethoxyphenyl)propan-2-one
CAS: 831-29-8
CID: 592028
Formula: C11H14O3
MW: 194.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight194.23
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass194.094294304
Monoisotopic Mass194.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity191
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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