AG003JJS

1131-94-8 | 2-(3-hydroxy-4-methoxyphenyl)acetic acid

AG003JJS

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CAS Number	1131-94-8
Catalog Number	AG003JJS(AGN-PC-0JPMR5)
Chemical Name	2-(3-hydroxy-4-methoxyphenyl)acetic acid
IUPAC Name	2-(3-hydroxy-4-methoxyphenyl)acetic acid
InChI	InChI=1S/C9H10O4/c1-13-8-3-2-6(4-7(8)10)5-9(11)12/h2-4,10H,5H2,1H3,(H,11,12)
InChI Key	BWXLCOBSWMQCGP-UHFFFAOYSA-N
MDL Number	MFCD00016829
Molecular Formula	C9H10O4
Molecular Weight	182.1733
SMILES	O=C(O)CC1=CC=C(OC)C(O)=C1
Synonyms	4-methoxy-3-hydroxyphenylacetic acid, homo-iso-vanillic acid, isohomovanillic acid, 1131-94-8, 3-Hydroxy-4-methoxyphenylacetic acid, 2-(3-hydroxy-4-methoxyphenyl)acetic acid, Isohomovanillic acid, Homoisovanillic acid, 4-Methoxy-3-hydroxyphenylacetic acid, 3-Hydroxy-4-methoxyphenylaceticacid, (3-hydroxy-4-methoxyphenyl)acetic acid, Benzeneacetic acid, 3-hydroxy-4-methoxy-, 2-(3-hydroxy-4-methoxy-phenyl)acetic acid, CHEBI:70818, 3-Hydroxy-4-methoxybenzeneacetic acid, AK-78787, 2-(3-hydroxy-4-methoxyphenyl) acetic acid, AE-508/43282304, Homo-iso-vanillic acid, Homoisovanillate, Isohomovanillate, PubChem3998, AC1L4NUI, ACMC-1C6JK, AC1Q5VJ1, MLS000574994, SCHEMBL347877, BEN795, Jsp001028, CHEMBL1299652, 3-Hydroxy-4-methoxyphenylacetate, 4-Methoxy-3-hydroxyphenylacetate, CTK8B6655, KS-00000CCH, TIMTEC-BB SBB017714, DTXSID10150287, BWXLCOBSWMQCGP-UHFFFAOYSA-N, HMS2201F11, HMS3334G16, ACN-S003409, ZINC2146885, 4-Methoxy-m-hydroxybenzenacetic acid, 2263AA, AN-126, ANW-53899, CH-643, CX1259, MFCD00016829, SBB017714, 3-hydroxy-4-methoxyphenyl acetic acid, AKOS006228912, AC-2776, AS00514, CS-W002110, FCH2102820, FR-2444, MCULE-5933449235, TRA0019616, 3-hydroxy-4-methoxy-phenyl acetic acid, NCGC00247611-01, AJ-33616, AM808209, BC676490, CC-15280, DS-17504, SC-00421, SMR000156294, SY002879, (3-hydroxy-4-methoxy-phenyl)-acetic acid, 3-hydroxy-4-methoxyphenylacetic acid ,98%, 3-Hydroxy-4-methoxyphenylacetic acid, 97%, AB0059586, AX8006725, TR-033401, 4CH-023639, FT-0633386, ST24039317, ST50828029, MFCD00016829 (96%), C-5373, 131H948, C-06966, I01-5730, J-002914, 2-(3-HYDROXY-4-METHOXYPHENYL) ACETIC ACID, C9H10O4, AR-1J2005, AR-1J2006, CID160562, Acetic acid, (3-hydroxy-4-methoxyphenyl)-, A2294, H1455, methyl 2-(3-hydroxy-4-methoxyphenyl)acetate, 3-Hydroxy-4-methoxyphenylacetic acid, 98% - 1G 1g, 127-60-6, 127607-85-6,

Complexity	181
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	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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