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2-Methoxyphenylacetone

CAT: 0572-TRC-M219708-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M219708-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
5211-62-1
Synonyms
1-(2-Methoxyphenyl)-2-propanone; 2-Propanone, (o-methoxyphenyl)- (6CI,7CI); 2-Propanone, 1-(o-methoxyphenyl)- (8CI); (2-Methoxyphenyl)acetone; (o-Methoxyphenyl)acetone; 1-(2-Anisyl)-2-propanone; 1-(o-Methoxyphenyl)-2-propanone; 2'-Methoxyphenyl-2-propanone; o-Methoxyphenyl-2-propanone; 2-Methoxybenzyl methyl ketone; o-Methoxybenzyl methyl ketone; o-Methoxyphenylacetone; ortho-Methoxyphenylacetone
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COc1ccccc1CC(=O)C
Molecular Formula
C10 H12 O2
Molecular Weight
164.2011
InChI
InChI=1S/C10H12O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3
Additionnal Information
IUPAC name: 1-(2-methoxyphenyl)propan-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2-Methoxyphenylacetone

2-methoxyphenylacetone has been reported in Foeniculum vulgare with data available.

CAS Number5211-62-1
PubChem CID78887
IUPAC Name1-(2-methoxyphenyl)propan-2-one
Molecular FormulaC10H12O2
Molecular Weight164.20
XLogP1.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity154
SMILES
CC(=O)CC1=CC=CC=C1OC
InChI
InChI=1S/C10H12O2/c1-8(11)7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3
InChIKey
GMBFNZCPZFVKAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxyphenylacetone
CAS: 5211-62-1
CID: 78887
Formula: C10H12O2
MW: 164.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.20
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass164.083729621
Monoisotopic Mass164.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity154
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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