AG005210

79398-27-9 | Methyl 4,6-dihydroxynicotinate

AG005210

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CAS Number	79398-27-9
Catalog Number	AG005210(AGN-PC-0ABI29)
Chemical Name	Methyl 4,6-dihydroxynicotinate
IUPAC Name	methyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
InChI	InChI=1S/C7H7NO4/c1-12-7(11)4-3-8-6(10)2-5(4)9/h2-3H,1H3,(H2,8,9,10)
InChI Key	YRIXOKHFULWNHE-UHFFFAOYSA-N
MDL Number	MFCD09152693
Molecular Formula	C7H7NO4
Molecular Weight	169.1348
NSC Number	112516
SMILES	O=C(OC)C1=CN=C(O)C=C1O
Synonyms	Methyl 4,6-dihydroxynicotinate, 79398-27-9, methyl 4,6-dihydroxypyridine-3-carboxylate, methyl 6-hydroxy-4-oxo-1H-pyridine-3-carboxylate, AK-65278, 3-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-, methyl ester, methyl 4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate, NSC112516, methyldihydroxynicotinate, AC1L6O7I, AC1Q43QN, AC1Q6AE4, SCHEMBL1326993, CTK5E6759, KS-00000GMG, DTXSID80716051, YRIXOKHFULWNHE-UHFFFAOYSA-N, ZINC8649708, ZX-AT013806, ANW-48724, FCH865475, MFCD09152693, QC-706, RW2963, SBB088247, AKOS005070632, AKOS005138153, AC-7722, AN-8730, MCULE-9570513780, NSC-112516, OR46224, RP10454, 4,6-Dihydroxynicotinic acid methyl ester, AJ-57839, AJ-57840, BR-65278, SC-27590, SY021062, AB0026753, AX8139252, DB-050541, ST2407226, TR-032949, 4CH-018058, AM20061514, CS-0061857, FT-0680414, W8494, MFCD09152693 (95%), S-3736, 398M279, 4X-0881, methyl 4-hydroxy-6-oxo-1H-pyridine-3-carboxylate, I02-2082, J-522282, F2167-2792, methyl 6-hydroxy-4-oxo-1,4-dihydropyridine-3-carboxylate, 3-Pyridinecarboxylicacid, 1,6-dihydro-4-hydroxy-6-oxo-, methyl ester, C7H7NO4, Methyl4,6-dihydroxynicotinate, AR-1J5309, CID270258, C2030, 8052-85-5,

Complexity	290
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	169.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	169.136g/mol
Monoisotopic Mass	169.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	75.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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