AG0017SY

138-60-3 | 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-

AG0017SY

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CAS Number	138-60-3
Catalog Number	AG0017SY(AGN-PC-0JK8PA)
Chemical Name	2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-
EC Number	205-335-8
IUPAC Name	4-oxo-1H-pyridine-2,6-dicarboxylic acid
InChI	InChI=1S/C7H5NO5/c9-3-1-4(6(10)11)8-5(2-3)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
InChI Key	XTLJJHGQACAZMS-UHFFFAOYSA-N
MDL Number	MFCD03818117
Molecular Formula	C7H5NO5
Molecular Weight	183.1183
NSC Number	3983
SMILES	OC(=O)c1[nH]c(cc(=O)c1)C(=O)O
UNII	1A59BH8SXE
Synonyms	chelidamic acid, CHELIDAMIC ACID, 4-Hydroxypyridine-2,6-dicarboxylic acid, 138-60-3, 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid, 499-51-4, 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo-, 4-HYDROXY-2,6-PYRIDINEDICARBOXYLIC ACID, UNII-1A59BH8SXE, 1A59BH8SXE, 4-oxo-1H-pyridine-2,6-dicarboxylic acid, CHEMBL252909, 1,4-Dihydro-4-oxopyridine-2,6-dicarboxylic acid, MFCD00066478, 2,6-Pyridinedicarboxylic acid, 4-hydroxy-, 4-Oxo-1,4-dihydro-2,6-pyridinedicarboxylic acid, Chelidamic acid hydrate, 97%, 4-oxohydropyridine-2,6-dicarboxylic acid, 1,4-Dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate, NSC 3983, EINECS 205-335-8, Lopac-C-8011, AC1L1RM1, AC1Q6A8Z, 4-Oxo-1,4-dihydro-2,6-pyridinedicarboxylicacid, Chelidamic acid, AldrichCPR, Lopac0_000298, MLS000042771, SCHEMBL742928, 2, 1,4-dihydro-4-oxo-, CTK0H7778, CTK1D5079, 2,6-Dicarboxy-4-hydroxypyridine, DTXSID00160451, NSC3983, XTLJJHGQACAZMS-UHFFFAOYSA-N, HMS2439A21, HMS3260L18, KS-00000PB8, NSC-3983, ZINC6523946, Tox21_500298, ANW-70671, ANW-72230, BBL028110, BDBM50229870, SBB069057, STK793046, STL259705, AKOS000279986, AKOS003233475, CCG-204393, CS-W017065, DS-1684, HY-W016349, LP00298, MCULE-2551574396, RL03828, NCGC00015270-01, NCGC00015270-02, NCGC00015270-03, NCGC00015270-04, NCGC00093748-01, NCGC00093748-02, NCGC00260983-01, 2,6-Pyridinedicarboxylicacid, 4-hydroxy-, AJ-62187, AK-46442, AK-54086, AN-43822, BP-12395, BR-54086, SC-20044, SC-23939, SMR000036248, AB0069409, AB0071625, AB1003610, DB-012857, DB-082252, ST2411586, TC-071277, TL8000881, 4CH-011022, C0821, EU-0100298, FT-0085071, FT-0623584, FT-0712040, ST50308105, A18191, C-1100, K-4485, 1,4-dihydro-4-oxo-2,6-pyridinedicarboxylic acid, 138O603, AC-907/25014159, SR-01000075782, 2,6-Pyridinedicarboxylicacid, 1,4-dihydro-4-oxo-, 4-Oxo-1,4-dihydro-2,6-pyridinedicarboxylic acid #, I01-7863, J-400830, J-515530, S04-0004, SR-01000075782-1, chelidamic acid (4-hydroxypyridine-2,6-dicarboxylic acid), 2,6-Pyridinedicarboxylic acid, 1,4-dihydro-4-oxo- (8CI)(9CI), 1,4-Dihydro-4-oxo-2,6-pyridinedicarboxylic acid hydrate; 4-Hydroxypyridine-2,6-dicarboxylic acid, Chelidamic acid hydrate, chelidamic acid monohydrate, C7H5NO5, cc-676, CID8743, C7-H5-N-O5, AR-1G2879, ACN-052335, CB10186, C 8011, 4-Oxo-1,4-dihydropyridine-2,6-dicarboxylicacid, 4-Hydroxypyridine-2,6-dicarboxylic acid hydrate, 97% - 1G 1g, 1397-89-3, 51895-88-6,

Complexity	320
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	183.017g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	183.119g/mol
Monoisotopic Mass	183.017g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	104A^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

Lot Number