AG009Y9B

1211581-22-4 | 2-Methoxy-3-methylisonicotinic acid

AG009Y9B

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CAS Number	1211581-22-4
Catalog Number	AG009Y9B(AGN-PC-09T4NG)
Chemical Name	2-Methoxy-3-methylisonicotinic acid
IUPAC Name	2-methoxy-3-methylpyridine-4-carboxylic acid
InChI	InChI=1S/C8H9NO3/c1-5-6(8(10)11)3-4-9-7(5)12-2/h3-4H,1-2H3,(H,10,11)
InChI Key	KFDYCRPBLIHWCR-UHFFFAOYSA-N
MDL Number	MFCD16611502
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	O=C(O)C1=CC=NC(OC)=C1C
Synonyms	2-methoxy-3-methylisonicotinic acid, 1211581-22-4, AK123562, 2-methoxy-3-methylpyridine-4-carboxylic acid, CTK4B2215, DTXSID00700235, KS-00000R7X, MFCD16611502, ZINC71863951, AKOS015995148, DS-7037, FCH1135128, RP22987, AJ-118830, AX8247740, J-509792, 2-Methoxy-3-methylisonicotinicacid,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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