Ezetimibe Impurity 58

CAT: 1596-AR-E10931-05Size: 150Dry Ice: NoHazardous: No

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CAT#:1596-AR-E10931-05Size:150

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CAS Number

1501-05-9

Molecular Formula

C11H12O3

Molecular Weight

192.21

API Name

Ezetimibe

Chemical Information

delta-Oxobenzenepentanoic acid

has antineoplastic activity

CAS Number	1501-05-9
PubChem CID	73914
IUPAC Name	5-oxo-5-phenylpentanoic acid
Molecular Formula	C11H12O3
Molecular Weight	192.21
XLogP	1.7
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	205

SMILES

C1=CC=C(C=C1)C(=O)CCCC(=O)O

InChI

InChI=1S/C11H12O3/c12-10(7-4-8-11(13)14)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)

InChIKey

SHKWSBAVRQZYLE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1501-05-9

CID: 73914

Formula: C11H12O3

MW: 192.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.21
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	192.078644241
Monoisotopic Mass	192.078644241
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	205
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
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-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
AR-E10970-01	Ezetimibe Impurity 2