AG003HDL

31284-89-6 | 2-Hydroxy-2-(4-methylphenyl)acetic acid

AG003HDL

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CAS Number	31284-89-6
Catalog Number	AG003HDL(AGN-PC-0R6KS8)
Chemical Name	2-Hydroxy-2-(4-methylphenyl)acetic acid
IUPAC Name	(2R)-2-hydroxy-2-(4-methylphenyl)acetic acid
InChI	InChI=1S/C9H10O3/c1-6-2-4-7(5-3-6)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)/t8-/m1/s1
InChI Key	SFGURAWGCAPHON-MRVPVSSYSA-N
MDL Number	MFCD00798433
Molecular Formula	C9H10O3
Molecular Weight	166.1739
SMILES	[C@@H](C(O)=O)(O)C1=CC=C(C)C=C1
Synonyms	4-Methyl-D-mandelic acid, (R)-4-Methylmandelic acid, 31284-89-6, (R)-(-)-4-Methylmandelic acid, MFCD00798433, (R)-alpha-Hydroxy(4-methylphenyl)acetic acid, (R)-Para-methylmandelic acid, SCHEMBL366066, ZINC1715277, (R)-2-hydroxy-2-p-tolylacetic acid, AKOS025310775, FCH1121451, ACM31284896, AS-17448, (R)-(-)-4-Methylmandelic acid, ChiPros, V0170, (2R)-2-hydroxy-2-(4-methylphenyl)acetic acid, 284M896, (R)-4-Methylmandelic acid, ChiPros(R), produced by BASF, 98%, 4-Methylmandelic acid, C9H10O3, 2-hydroxy-2-(4-methylphenyl)acetic acid,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	166.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	166.176g/mol
Monoisotopic Mass	166.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H318-H335
Precuationary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Siginal words

Certificate of Analysis

Lot Number