AG003EID

3719-45-7 | 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid

AG003EID

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CAS Number	3719-45-7
Catalog Number	AG003EID(AGN-PC-0JTG1T)
Chemical Name	1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
IUPAC Name	1-methyl-6-oxopyridine-3-carboxylic acid
InChI	InChI=1S/C7H7NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4H,1H3,(H,10,11)
InChI Key	RGZCKPXTNJAWMR-UHFFFAOYSA-N
MDL Number	MFCD00031002
Molecular Formula	C7H7NO3
Molecular Weight	153.1354
SMILES	O=C(C(C=C1)=CN(C)C1=O)O
Synonyms	N(1)-methyl-2-pyridone-5-carboxylic acid, NMPCA, 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid, 3719-45-7, 1-methyl-6-oxopyridine-3-carboxylic acid, 1-Methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid, 1,2-DIHYDRO-1-METHYL-2-OXOPYRIDINE-5-CARBOXYLIC ACID, N(1)-Methyl-2-pyridone-5-carboxylic acid, RGZCKPXTNJAWMR-UHFFFAOYSA-N, 3-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, NMPCA, 1-methyl-6-oxohydropyridine-3-carboxylic acid, NUDIFLORIC ACID, ACMC-1CJYW, AC1LC1HZ, AC1Q3YS5, SCHEMBL480137, SCHEMBL14939957, CTK1C3837, DTXSID80190675, HMS1699N05, ZINC402427, ALBB-000156, ANW-44433, MFCD00031002, SBB017929, STK502205, AKOS000300363, n-methyl-2-pyridone-5-carboxylic acid, MCULE-9574788566, PB21634, RP21691, RTX-010164, KS-0000030J, AJ-21851, AK-34900, ASN 03220438, BS-13479, SY041994, ST2415430, BB 0240581, CS-0032465, FT-0673168, ST50310547, EN300-41803, MFCD00031002 (97%), C-8755, AC-907/34118031, A1-00159, I02-4616, J-504982, 1-Methyl-6-oxo-1,6-dihydro-pyridine-3-carboxylicacid, 1-Methyl-6-oxo-1,6-dihydro-3-pyridinecarboxylic acid #, 3-Pyridinecarboxylicacid, 1,6-dihydro-1-methyl-6-oxo-, F9994-0372, Z425484984, 1,6-Dihydro-1-methyl-6-oxo-3-pyridinecarboxylic acid, 97%, C7-H7-N-O3, ACN-S001969, CID592704, 1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylicacid,

Complexity	265
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.043g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	153.137g/mol
Monoisotopic Mass	153.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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