AG00D9RI

51146-57-7 | (αR)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid

AG00D9RI

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CAS Number	51146-57-7
Catalog Number	AG00D9RI(AGN-PC-0S9RTD)
Chemical Name	(αR)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid
EC Number	610-621-4
IUPAC Name	(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
InChI	InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m1/s1
InChI Key	HEFNNWSXXWATRW-SNVBAGLBSA-N
MDL Number	MFCD00069290
Molecular Formula	C13H18O2
Molecular Weight	206.2808
SMILES	CC(CC1=CC=C([C@H](C(O)=O)C)C=C1)C
UNII	99W8H60N62
Synonyms	(R)-(-)-Ibuprofen, 51146-57-7, (-)-Ibuprofen, levibuprofen, r-ibuprofen, (R)-2-(4-Isobutylphenyl)propanoic acid, (R)-Ibuprofen, l-Ibuprofen, (2R)-2-(4-isobutylphenyl)propanoic acid, (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, UNII-99W8H60N62, CHEMBL427526, CHEBI:47835, alphaR-Sethyl-4-(2-methylpropyl)benzeneacetic acid, (R)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid, 99W8H60N62, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (R)-, R-(-)-p-Isobutylhydratropic acid, (-)-Ibuprophen, IZP, (r)(-) ibuprofen, (r)(-)-ibuprofen, AC1L3G3Q, AC1Q5QI4, SCHEMBL29057, CTK4J3759, KS-00000LKA, HEFNNWSXXWATRW-SNVBAGLBSA-N, ZINC113398, EX-A1358, BDBM50169044, HY-78131B, MFCD00069290, AKOS027320481, API0000086, CS-1394, AJ-94573, DS-11337, SC-51154, FT-0670257, Y1622, W-5063, C-54158, (-)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, (alphaR)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, Benzeneacetic acid, a-methyl-4-(2-methylpropyl)-, (aR)-, UNII-WK2XYI10QM component HEFNNWSXXWATRW-SNVBAGLBSA-N, Benzeneacetic acid,alpha-methyl-4-(2-methylpropyl)-,(alphaR)-, benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (alphaR)-, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (alphaR)- (9CI), ibuprofen, DEXIBUPROFEN, (S)-(+)-Ibuprofen, Ibuprofen, (-)-, IBUPROFEN LYSINE, - -IBUPROFEN, KST-1A5323, C13H18O2, AR-1A2623, CID114864, C13-H18-O2, A8446, B1018, B1043, (R)-(-)-Ibuprofen, 98% - 10mg 10mg, A10461, 15687-27-1, 51146-56-6, 52510-51-7,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	206.131g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.285g/mol
Monoisotopic Mass	206.131g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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