Ketoprofen EP Impurity J

CAT: 1299-RM-K200610-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-K200610-01Size:10 mg

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CAS Number

1785759-59-2

Synonyms

(2RS) -2-[3- (2,4-Dimethylbenzoyl) -phenyl]propanoic Acid

Molecular Formula

C18H18O3

Molecular Weight

282.33

Target Alternative Name

Ketoprofen

Product Name Synonym

(2RS) -2-[3- (2,4-Dimethylbenzoyl) -phenyl]propanoic Acid

Chemical Information

(2RS)-2-[3-(2,4-Dimethylbenzoyl)phenyl]propanoic Acid

CAS Number	1785759-59-2
PubChem CID	112547246
IUPAC Name	2-[3-(2,4-dimethylbenzoyl)phenyl]propanoic acid
Molecular Formula	C18H18O3
Molecular Weight	282.3
XLogP	3.8
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	21
Formal Charge	0
Complexity	390

SMILES

CC1=CC(=C(C=C1)C(=O)C2=CC=CC(=C2)C(C)C(=O)O)C

InChI

InChI=1S/C18H18O3/c1-11-7-8-16(12(2)9-11)17(19)15-6-4-5-14(10-15)13(3)18(20)21/h4-10,13H,1-3H3,(H,20,21)

InChIKey

ZBFITRSZJZIQBJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1785759-59-2

CID: 112547246

Formula: C18H18O3

MW: 282.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	282.3
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	282.125594432
Monoisotopic Mass	282.125594432
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	390
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