Ezetimibe Impurity 126

CAT: 1596-AR-E10969-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-E10969-05Size:150

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CAS Number

7480-32-2

Molecular Formula

C9H9NO2

Molecular Weight

163.18

API Name

Ezetimibe

Chemical Information

4-Phenyloxazolidin-2-one

CAS Number	7480-32-2
PubChem CID	349728
IUPAC Name	4-phenyl-1,3-oxazolidin-2-one
Molecular Formula	C9H9NO2
Molecular Weight	163.17
XLogP	1.2
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	175

SMILES

C1C(NC(=O)O1)C2=CC=CC=C2

InChI

InChI=1S/C9H9NO2/c11-9-10-8(6-12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,10,11)

InChIKey

QDMNNMIOWVJVLY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7480-32-2

CID: 349728

Formula: C9H9NO2

MW: 163.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.17
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	163.063328530
Monoisotopic Mass	163.063328530
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	175
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-E08964-01	Ezetimibe Impurity 109
AR-E08761-01	Ezetimibe Dehydroxy Impurity
AR-E10989-01	Ezetimibe Impurity 29
AR-E10948-01	Ezetimibe Impurity 96
AR-E10931-01	Ezetimibe Impurity 58
AR-E10944-01	Ezetimibe Impurity 78
AR-E11012-01	Ezetimibe Impurity 26
AR-E11014-01	Ezetimibe Impurity 10
AR-E10985-01	Ezetimibe Impurity 50
AR-E10978-01	Ezetimibe Impurity 30