AG008R16

10502-44-0 | 4-Methoxymandelic acid

AG008R16

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CAS Number	10502-44-0
Catalog Number	AG008R16(AGN-PC-0OU52E)
Chemical Name	4-Methoxymandelic acid
EC Number	234-031-8
IUPAC Name	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)
InChI Key	ITECRQOOEQWFPE-UHFFFAOYSA-N
MDL Number	MFCD00004233
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	OC(C1=CC=C(OC)C=C1)C(O)=O
Synonyms	4-methoxymandelic acid, 4-methoxymandelic acid, (R)(-)-isomer, 4-Methoxymandelic acid, 10502-44-0, DL-4-METHOXYMANDELIC ACID, 2-hydroxy-2-(4-methoxyphenyl)acetic acid, P-methoxy mandelic acid, 4-Methoxyphenylglycolic acid, 4-Methoxymandelicacid, Hydroxy(4-methoxyphenyl)acetic acid, Hydroxy-(4-methoxy-phenyl)-acetic acid, CHEMBL58565, ITECRQOOEQWFPE-UHFFFAOYSA-N, 2-(4-methoxyphenyl)-2-oxidanyl-ethanoic acid, Mandelic acid, p-methoxy-, AK-43949, AK-45069, EINECS 234-031-8, 4-Methoymandelic acid, p-Methoxymandelic acid, AC1L3AMM, AC1Q5SS2, Benzeneacetic acid, .alpha.-hydroxy-4-methoxy-, KSC179S0D, SCHEMBL503627, 4-Methoxymandelic acid, 98%, CTK0H9901, ACT04419, KS-00000O6D, BDBM50102182, CM-329, FD1310, GEO-01687, MFCD00004233, AKOS002676238, AKOS016046695, Hydroxy(4-methoxyphenyl)acetic acid #, CS-W017120, LS11566, TRA-0206072, AC-23823, AK-46464, AN-37014, AS-12062, BC215716, SC-21839, SY017533, SY017551, SY017553, AB0011186, ST2406819, TC-071146, Benzeneacetic acid, alpha-hydroxy-4-methoxy-, FT-0618942, M2278, X3138, X3139, MFCD00004233 (95%), MFCD00754498 (95%), MFCD00798434 (95%), A801138, A814831, I01-2226, I01-6702, W-200079, D-4-Methoxymandelic acid, L-4-Methoxymandelic acid, DL-4-Methoxymandelicacid, C9H10O4, (R)-2-Hydroxy-2-(4-methoxyphenyl)acetic acid, (S)-2-Hydroxy-2-(4-methoxyphenyl)acetic acid, AR-1J2129, C9-H10-O4, CID112056, 20714-89-0, 75172-66-6, 4-Methoxymandelic acid, 98% - 1G 1g, 21221-01-2, 219310-10-8,

Complexity	173
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
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	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number