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Methyldopa Impurity 9

CAT: 1299-RM-M052109-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-M052109-02Size:25 mg
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CAS Number
7537-14-6
Synonyms
1- (3,4-dimethoxy-5-methylphenyl) propan-2-one
Molecular Formula
C12H16O3
Molecular Weight
208.26
Target Alternative Name
Methyldopa
Product Name Synonym
1- (3,4-dimethoxy-5-methylphenyl) propan-2-one

Chemical Information

1-(3,4-Dimethoxy-2-methylphenyl)propan-2-one
CAS Number7537-14-6
PubChem CID73554627
IUPAC Name1-(3,4-dimethoxy-2-methylphenyl)propan-2-one
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP1.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity215
SMILES
CC1=C(C=CC(=C1OC)OC)CC(=O)C
InChI
InChI=1S/C12H16O3/c1-8(13)7-10-5-6-11(14-3)12(15-4)9(10)2/h5-6H,7H2,1-4H3
InChIKey
JWRKRPKCBXPHPO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(3,4-Dimethoxy-2-methylphenyl)propan-2-one
CAS: 7537-14-6
CID: 73554627
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area35.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity215
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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