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1-(2,6-Dimethylphenoxy)acetone

CAT: 0572-TRC-D476440-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D476440-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53012-41-2
Synonyms
Mexiletine Hydrochloride Imp. B (EP); Mexiletine Imp. B (EP); 1-(2,6-Dimethylphenoxy)propan-2-one; 2-Propanone, 1-(2,6-dimethylphenoxy)-; 1-(2,6-Dimethylphenoxy)-2-propanone; 1-(2,6-Dimethylphenoxy)acetone; Mexiletine Hydrochloride Impurity B; Mexiletine Impurity B
Hazard Statement
Harmful to aquatic life with long lasting effects
Purity
>95% (GC)
Smiles
CC(=O)COc1c(C)cccc1C
Molecular Formula
C11 H14 O2
Molecular Weight
178.23
InChI
InChI=1S/C11H14O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6H,7H2,1-3H3
Additionnal Information
IUPAC name: 1-(2,6-dimethylphenoxy)propan-2-one
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-(2,6-Dimethylphenoxy)-2-propanone
CAS Number53012-41-2
PubChem CID104378
IUPAC Name1-(2,6-dimethylphenoxy)propan-2-one
Molecular FormulaC11H14O2
Molecular Weight178.23
XLogP2.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity167
SMILES
CC1=C(C(=CC=C1)C)OCC(=O)C
InChI
InChI=1S/C11H14O2/c1-8-5-4-6-9(2)11(8)13-7-10(3)12/h4-6H,7H2,1-3H3
InChIKey
XDJULAUHYAJQBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,6-Dimethylphenoxy)-2-propanone
CAS: 53012-41-2
CID: 104378
Formula: C11H14O2
MW: 178.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.23
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass178.099379685
Monoisotopic Mass178.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity167
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
MBS6030618-011-(2,6-Dimethylphenoxy)acetone
sc-4980781- (2,6-Dimethylphenoxy) acetone
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MBS6091713-01(2,6-Dimethylphenoxy)-acetylchloride
FD66976-01(2,6-Dimethylphenyl) acetone
RAA73771-012- (2,6-Dimethylphenoxy) ethan-1-ol
407708-011- (2,6-Dimethylphenoxy) -2-propanone Oxime
OR1008901-011- (2,6-Dimethylphenoxy) Propan-2-One
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