AG00CLXY

33259-21-1 | 4-Hydroxy-2,6-dimethylnicotinic acid

AG00CLXY

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CAS Number	33259-21-1
Catalog Number	AG00CLXY(AGN-PC-0O90DZ)
Chemical Name	4-Hydroxy-2,6-dimethylnicotinic acid
IUPAC Name	2,6-dimethyl-4-oxo-1H-pyridine-3-carboxylic acid
InChI	InChI=1S/C8H9NO3/c1-4-3-6(10)7(8(11)12)5(2)9-4/h3H,1-2H3,(H,9,10)(H,11,12)
InChI Key	SXBRRFLLEOHXIO-UHFFFAOYSA-N
MDL Number	MFCD18258494
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
NSC Number	201304
SMILES	CC1=CC(O)=C(C(O)=O)C(C)=N1
Synonyms	4-Hydroxy-2,6-dimethylnicotinic acid, 33259-21-1, 52403-25-5, 2,6-dimethyl-4-oxo-1H-pyridine-3-carboxylic acid, 2,6-dimethyl-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid, 2,6-Dimethyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 4-hydroxy-2,6-dimethyl-, NSC201304, AC1L75J8, SCHEMBL3559208, SCHEMBL10686284, CTK1B8619, SXBRRFLLEOHXIO-UHFFFAOYSA-N, ZINC1735239, ANW-68696, MFCD17078889, MFCD18258494, 2,6dimethyl-4-hydroxy-nicotinic acid, AKOS016005928, AKOS022185630, 2,6-dimethyl-4-hydroxy-nicotinic acid, NSC-201304, AJ-31331, AK-72689, DS-15222, TC-157441, Y-7786, 4-hydroxy-2,6-dimethylpyridine-3-carboxylic acid, 4-Hydroxy-2,6-dimethylnicotinicacid, CID304687,

Complexity	312
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	2
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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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