AG00DFFE

56105-81-8 | (2R)-2-(3-benzoylphenyl)propanoic acid

AG00DFFE

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CAS Number	56105-81-8
Catalog Number	AG00DFFE(AGN-PC-0SKDPV)
Chemical Name	(2R)-2-(3-benzoylphenyl)propanoic acid
IUPAC Name	(2R)-2-(3-benzoylphenyl)propanoic acid
InChI	InChI=1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)/t11-/m1/s1
InChI Key	DKYWVDODHFEZIM-LLVKDONJSA-N
MDL Number	MFCD00673315
Molecular Formula	C16H14O3
Molecular Weight	254.2806
SMILES	C[C@H](C1=CC=CC(C(C2=CC=CC=C2)=O)=C1)C(O)=O
UNII	S03709D0TH
Synonyms	(R)-Ketoprofen, (R)-Ketoprophen, (-)-Ketoprofen, 56105-81-8, R-KETOPROFEN, UNII-S03709D0TH, (R)-(-)-Ketoprofen, CHEMBL372052, S03709D0TH, (R)-2-(3-Benzoylphenyl)propionic acid, Benzeneacetic acid,3-benzoyl-a-methyl-, (aR)-, (2R)-2-(3-benzoylphenyl)propanoic acid, Ketoprofen, (R)-, NCGC00016757-01, CAS-22071-15-4, Lopac-K-1751, (-)-3-Benzoyl-alpha-methylbenzeneacetic acid, SCHEMBL195303, AC1L47D6, ZINC2272, CTK5A4646, DTXSID50204652, DKYWVDODHFEZIM-LLVKDONJSA-N, BDBM50169048, AKOS022182275, (-)-2-(3-Benzoylphenyl)propionic Acid, NCGC00015578-01, NCGC00015578-06, (2R)-2-(3-Benzoylphenyl)propionic Acid, AJ-08153, (R)-2-(3-Benzoyl-phenyl)-propionic acid, (R)-3-Benzoyl-|A-methylphenylacetic Acid, (-)-3-Benzoyl-|A-methylbenzeneacetic Acid, B1446, FT-0670647, (|AR)-3-Benzoyl-|A-methylbenzeneacetic Acid, (R)-(-)-2-(3-benzoylphenyl)propionic acid, enzeneacetic acid, 3-benzoyl-alpha-methyl-, (R)-, UNII-90Y4QC304K component DKYWVDODHFEZIM-LLVKDONJSA-N, ketoprofen, (S)-(+)-Ketoprofen, D0ZL4F, CID180540, (R)-2-(3-benzoylphenyl)propanoic acid, 22071-15-4,

Complexity	331
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	254.094g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	254.285g/mol
Monoisotopic Mass	254.094g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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