Ketoprofen EP Impurity L

CAT: 1299-RM-K200612-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-K200612-01Size:10 mg

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CAS Number

1797984-80-5

Synonyms

2- (3- (2,4,5-trimethylbenzoyl) phenyl) propanoic acid

Molecular Formula

C19H20O3

Molecular Weight

296.36

Target Alternative Name

Ketoprofen

Product Name Synonym

2- (3- (2,4,5-trimethylbenzoyl) phenyl) propanoic acid

Chemical Information

Ketoprofen EP Impurity L

CAS Number	1797984-80-5
PubChem CID	131668313
IUPAC Name	2-[3-(2,4,5-trimethylbenzoyl)phenyl]propanoic acid
Molecular Formula	C19H20O3
Molecular Weight	296.4
XLogP	4.4
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	417

SMILES

CC1=CC(=C(C=C1C)C(=O)C2=CC=CC(=C2)C(C)C(=O)O)C

InChI

InChI=1S/C19H20O3/c1-11-8-13(3)17(9-12(11)2)18(20)16-7-5-6-15(10-16)14(4)19(21)22/h5-10,14H,1-4H3,(H,21,22)

InChIKey

QISHTWCSIVFJBU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1797984-80-5

CID: 131668313

Formula: C19H20O3

MW: 296.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.4
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	296.14124450
Monoisotopic Mass	296.14124450
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	417
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