Desmethyl Ketoprofen

CAT: 0024-sc-207542Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-207542Size:250 mg

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CAS Number

22071-22-3

Chemical Information

(3-Benzoylphenyl)acetic acid

CAS Number	22071-22-3
PubChem CID	30931
IUPAC Name	2-(3-benzoylphenyl)acetic acid
Molecular Formula	C15H12O3
Molecular Weight	240.25
XLogP	3
Topological Polar Surface Area	54.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	305

SMILES

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

InChI

InChI=1S/C15H12O3/c16-14(17)10-11-5-4-8-13(9-11)15(18)12-6-2-1-3-7-12/h1-9H,10H2,(H,16,17)

InChIKey

ALDSXDRDRWDASQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22071-22-3

CID: 30931

Formula: C15H12O3

MW: 240.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.25
XLogP3	3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	240.078644241
Monoisotopic Mass	240.078644241
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	305
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
FD21283	Desmethyl ketoprofen
HY-131118R-01	Desmethyl Ketoprofen (Standard)
271669-01	Desmethyl ketoprofen methyl ester
HY-B0227-01	Ketoprofen