AG003ACY

75172-66-6 | L-4-methoxymandelic acid

AG003ACY

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CAS Number	75172-66-6
Catalog Number	AG003ACY(AGN-PC-0U6RVX)
Chemical Name	L-4-methoxymandelic acid
IUPAC Name	(2S)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
InChI	InChI=1S/C9H10O4/c1-13-7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8,10H,1H3,(H,11,12)/t8-/m0/s1
InChI Key	ITECRQOOEQWFPE-QMMMGPOBSA-N
MDL Number	MFCD00004233
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	OC(C1=CC=C(OC)C=C1)C(O)=O
Synonyms	L-4-Methoxymandelic acid, 75172-66-6, (S)-2-Hydroxy-2-(4-methoxyphenyl)acetic acid, AK-43949, AC1OCWDQ, PubChem16007, SCHEMBL4634271, (+)-p-Methoxy-L-mandelic acid, KS-00000OLQ, DTXSID40426245, ZINC409302, ACT04420, FD1313, MFCD00754498, AKOS005146321, AKOS015851915, CM-1482, FCH1158775, AC-23825, AJ-22733, DS-14342, AB0087770, AX8211527, BB 0261296, CS-0043106, FT-0687280, ST24026569, (2S)-2-hydroxy-2-(4-methoxyphenyl)acetic acid, 172M666, 4-Methoxymandelic acid, D-4-Methoxymandelic acid, L-4-Methoxymandelicacid, (R)-4-METHOXYMANDELIC ACID, CID6951706, L-4-Methoxymandelic acid, 98% - 1G 1g, 20714-89-0,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	182.058g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	182.175g/mol
Monoisotopic Mass	182.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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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