Ketoprofen EP Impurity D

CAT: 1299-RM-K201604-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-K201604-01Size:10 mg

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CAS Number

107257-20-5

Synonyms

(2RS) -2-[3- (4-Methylbenzoyl) phenyl]propanoic acid

Molecular Formula

C17H16O3

Molecular Weight

268.31

Target Alternative Name

Ketoprofen

Product Name Synonym

(2RS) -2-[3- (4-Methylbenzoyl) phenyl]propanoic acid

Chemical Information

2-(3-(4-Methylbenzoyl)phenyl)propanoic acid

CAS Number	107257-20-5
PubChem CID	577332
IUPAC Name	2-[3-(4-methylbenzoyl)phenyl]propanoic acid
Molecular Formula	C17H16O3
Molecular Weight	268.31
XLogP	3.5
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	355

SMILES

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

InChI

InChI=1S/C17H16O3/c1-11-6-8-13(9-7-11)16(18)15-5-3-4-14(10-15)12(2)17(19)20/h3-10,12H,1-2H3,(H,19,20)

InChIKey

PXERNXYPPAUBJI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107257-20-5

CID: 577332

Formula: C17H16O3

MW: 268.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.31
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	268.109944368
Monoisotopic Mass	268.109944368
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	355
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