AG002IVY

20714-89-0 | (R)-4-Methoxymandelic acid

AG002IVY

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CAS Number	20714-89-0
Catalog Number	AG002IVY(AGN-PC-0QWF89)
Chemical Name	(R)-4-Methoxymandelic acid
IUPAC Name	(2R)-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-/m1/s1
InChI Key	ITECRQOOEQWFPE-MRVPVSSYSA-N
MDL Number	MFCD00798434
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	O=C(O)[C@H](O)C1=CC=C(OC)C=C1
Synonyms	D-4-Methoxymandelic acid, 20714-89-0, (R)-2-Hydroxy-2-(4-methoxyphenyl)acetic acid, (R)-4-METHOXYMANDELIC ACID, (2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid, AK-45069, AC1OCWDW, PubChem15953, SCHEMBL503628, (?)-p-Methoxy-D-mandelic acid, KS-00000LLV, ZINC409303, ACT04421, FCH842247, FD1316, MFCD00798434, SBB063581, AKOS015851878, CM-1481, DS-1794, ACM20714890, AC-23824, AJ-22734, SC-23649, (2R)-Hydroxy(4-methoxyphenyl)acetic acid, AB0069093, AX8047721, ST2412774, 4CH-014242, CS-0043103, FT-0658837, M-9724, 714M890, Benzeneacetic acid, alpha-hydroxy-4-methoxy-, (alphaR)-, 4-Methoxymandelic acid, L-4-Methoxymandelic acid, D-4-Methoxymandelicacid, CID6951708, D-4-Methoxymandelic acid, 98% - 1G 1g, 75172-66-6, 10502-44-0,

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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