AG00DFZT

5466-62-6 | 4,6-Dihydroxynicotinic acid

AG00DFZT

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CAS Number	5466-62-6
Catalog Number	AG00DFZT(AGN-PC-0AAF9A)
Chemical Name	4,6-Dihydroxynicotinic acid
IUPAC Name	4-hydroxy-6-oxo-1H-pyridine-3-carboxylic acid
InChI	InChI=1S/C6H5NO4/c8-4-1-5(9)7-2-3(4)6(10)11/h1-2H,(H,10,11)(H2,7,8,9)
InChI Key	QJLHSJRQOWSNMD-UHFFFAOYSA-N
MDL Number	MFCD00234168
Molecular Formula	C6H5NO4
Molecular Weight	155.1082
SMILES	O=C(C(C(O)=C1)=CNC1=O)O
Synonyms	4,6-Dihydroxynicotinic acid, 5466-62-6, 4-Hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylic acid, 4,6-Dihydroxypyridine-3-carboxylic acid, 2,4-Dihydroxy-5-pyridinecarboxylic acid, NICOTINIC ACID, 4,6-DIHYDROXY-, 3-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-, NSC 25748, NSC 26363, BRN 0137085, AK-27721, Nicotinic acid,6-dihydroxy-, WLN: T6NJ BQ DQ EVQ, 3-Pyridinecarboxylic acid,6-dihydro-4-hydroxy-6-oxo-, dihydroxynicotinicacid, 4,6-Dihydroxynicotinate, AC1L2IQM, Maybridge3_007433, 0-22-00-00254 (Beilstein Handbook Reference), 4,6-dihydroxy nicotinic acid, SCHEMBL915144, CHEMBL1213477, CTK1H0018, CTK8A0851, KS-00000NVH, DTXSID20203117, QJLHSJRQOWSNMD-UHFFFAOYSA-N, HMS1452C10, ALBB-014115, NSC25748, NSC26363, ANW-47873, MFCD00234168, NSC-25748, NSC-26363, SBB052975, ZINC83443940, AKOS005073059, AKOS022716098, FCH1122261, HD-0738, MCULE-5242931004, RP10112, IDI1_018820, 4,6-Dihydroxy-3-pyridinecarboxylic acid, AJ-75086, AM808259, AM808266, BR-27721, EN002429, LS-96555, QC-10766, 3-pyridinecarboxylic acid, 4,6-dihydroxy-, AB0025425, DB-081706, ST2405833, TR-019321, CS-0060146, FT-0646315, W6888, 6-hydroxy-4-oxo-1H-pyridine-3-carboxylic acid, W-6733, AC-907/25004515, I02-0925, J-514160, 3-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo, 3-Pyridinecarboxylicacid, 1,6-dihydro-4-hydroxy-6-oxo-, 4-HYDROXY-6-OXO-1H-PYRIDINE-3-CARBOXYLIC ACID, Z1416200933, 3-Pyridinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo (9CI), methyl 3-aminoisonicotinate, C6H5NO4, C6-H5-N-O4, CID21629,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	155.022g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	155.109g/mol
Monoisotopic Mass	155.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	86.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.6

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

Lot Number