AG0094N7

1211531-94-0 | 6-Methoxy-5-Methyl-nicotinic acid

AG0094N7

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CAS Number	1211531-94-0
Catalog Number	AG0094N7(AGN-PC-0WAKTY)
Chemical Name	6-Methoxy-5-Methyl-nicotinic acid
IUPAC Name	6-methoxy-5-methylpyridine-3-carboxylic acid
InChI	InChI=1S/C8H9NO3/c1-5-3-6(8(10)11)4-9-7(5)12-2/h3-4H,1-2H3,(H,10,11)
InChI Key	XJXUPIMYYIFYBX-UHFFFAOYSA-N
MDL Number	MFCD16295277
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	O=C(O)C1=CN=C(OC)C(C)=C1
Synonyms	6-methoxy-5-methylnicotinic acid, 1211531-94-0, 6-METHOXY-5-METHYLPYRIDINE-3-CARBOXYLIC ACID, SCHEMBL3430654, DTXSID20738717, 6-Methoxy-5-Methyl-nicotinic acid, KS-00001AD9, MFCD16295277, ZINC72221933, AKOS022181514, AB70810, QC-9031, AS-39704, AB0036617, AJ-120724, CS-0036768, FT-0765473, ST24045450, Y3819, Q-8272, C8H9NO3,

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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