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Phenylephrine Impurity 63

CAT: 1299-RM-P141263-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P141263-01Size:10 mg
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CAS Number
2575516-51-5
Synonyms
2- (6- (3-hydroxyphenyl) -4-methyl-2-oxomorpholin-3-yl) acetic acid
Molecular Formula
C13H15NO5
Molecular Weight
265.27
Target Alternative Name
Phenylephrine
Product Name Synonym
2- (6- (3-hydroxyphenyl) -4-methyl-2-oxomorpholin-3-yl) acetic acid

Chemical Information

Phenylephrine Impurity 85
CAS Number2575516-51-5
PubChem CID131632194
IUPAC Name2-[6-(3-hydroxyphenyl)-4-methyl-2-oxomorpholin-3-yl]acetic acid
Molecular FormulaC13H15NO5
Molecular Weight265.26
XLogP-1.6
Topological Polar Surface Area87.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity359
SMILES
CN1CC(OC(=O)C1CC(=O)O)C2=CC(=CC=C2)O
InChI
InChI=1S/C13H15NO5/c1-14-7-11(8-3-2-4-9(15)5-8)19-13(18)10(14)6-12(16)17/h2-5,10-11,15H,6-7H2,1H3,(H,16,17)
InChIKey
IJDVQMXLRWJUGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenylephrine Impurity 85
CAS: 2575516-51-5
CID: 131632194
Formula: C13H15NO5
MW: 265.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.26
XLogP3-1.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass265.09502258
Monoisotopic Mass265.09502258
Topological Polar Surface Area87.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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