AG002JPE

20845-22-1 | Methyl 1-methyl-6-oxopyridine-2-carboxylate

AG002JPE

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CAS Number	20845-22-1
Catalog Number	AG002JPE(AGN-PC-0NINXQ)
Chemical Name	Methyl 1-methyl-6-oxopyridine-2-carboxylate
IUPAC Name	methyl 1-methyl-6-oxopyridine-2-carboxylate
InChI	InChI=1S/C8H9NO3/c1-9-6(8(11)12-2)4-3-5-7(9)10/h3-5H,1-2H3
InChI Key	INFQCCFXGFIXCI-UHFFFAOYSA-N
MDL Number	MFCD22581562
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	O=C(C1=CC=CC(N1C)=O)OC
Synonyms	Methyl 1-methyl-6-oxo-1,6-dihydropyridine-2-carboxylate, 20845-22-1, METHYL 1-METHYL-6-OXOPYRIDINE-2-CARBOXYLATE, 2-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, methyl ester, SCHEMBL2413275, CTK0J8345, DTXSID00492224, INFQCCFXGFIXCI-UHFFFAOYSA-N, MFCD22581562, ZINC95093075, AS-43442, AJ-132173, CS-0080850, 1-Methyl-6-oxo-1,6-dihydropyridine-2-carboxylic acid methyl ester, Methyl1-methyl-6-oxo-1,6-dihydropyridine-2-carboxylate,

Complexity	278
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	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

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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