AG000JD7

1227594-72-0 | 3-Pyridinecarboxylic acid, 2-methoxy-5-methyl-

AG000JD7

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CAS Number	1227594-72-0
Catalog Number	AG000JD7(AGN-PC-0WA6VQ)
Chemical Name	3-Pyridinecarboxylic acid, 2-methoxy-5-methyl-
IUPAC Name	2-methoxy-5-methylpyridine-3-carboxylic acid
InChI	InChI=1S/C8H9NO3/c1-5-3-6(8(10)11)7(12-2)9-4-5/h3-4H,1-2H3,(H,10,11)
InChI Key	SXAHXCKRWVFPKB-UHFFFAOYSA-N
MDL Number	MFCD15530274
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	c1(cnc(c(c1)C(=O)O)OC)C
Synonyms	2-Methoxy-5-methylnicotinic acid, 1227594-72-0, 2-methoxy-5-methylpyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 2-methoxy-5-methyl-, ACMC-209amj, AC1Q4F9P, SCHEMBL17371705, CTK7B2131, DTXSID30673589, ANW-18041, MFCD15530274, ZINC39961303, AKOS006332704, SC-95982, TR-071278, CS-0082374, Z8659, 2-Methoxy-5-methylnicotinic acid, AldrichCPR, A-6243, 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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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