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Metoprolol Impurity 7

CAT: 1596-AR-M01699-01Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M01699-01Size:50 Units
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CAS Number
56718-70-8
Synonyms
2-[[4- (2-Methoxyethyl) phenoxy]methyl-oxirane; [[4- (2-Methoxyethyl) phenoxy]methyl]-oxirane; MEEPB; Metoprolol Impurity VII;3-[4- (2-Methoxyethyl) phenoxy]-1,2-epoxypropane
Molecular Formula
C12H16O3
Molecular Weight
208.26
API Name
Metoprolol

Chemical Information

((p-(2-Methoxyethyl)phenoxy)methyl)oxirane
CAS Number56718-70-8
PubChem CID92515
IUPAC Name2-[[4-(2-methoxyethyl)phenoxy]methyl]oxirane
Molecular FormulaC12H16O3
Molecular Weight208.25
XLogP1.7
Topological Polar Surface Area31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity176
SMILES
COCCC1=CC=C(C=C1)OCC2CO2
InChI
InChI=1S/C12H16O3/c1-13-7-6-10-2-4-11(5-3-10)14-8-12-9-15-12/h2-5,12H,6-9H2,1H3
InChIKey
UEOWFGJMGUIGHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ((p-(2-Methoxyethyl)phenoxy)methyl)oxirane
CAS: 56718-70-8
CID: 92515
Formula: C12H16O3
MW: 208.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.25
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass208.109944368
Monoisotopic Mass208.109944368
Topological Polar Surface Area31 Ų
Heavy Atom Count15
Formal Charge0
Complexity176
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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