AG003N8I

306934-80-5 | 6-hydroxypyridazine-3-carboxylic acid hydrate

AG003N8I

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CAS Number	306934-80-5
Catalog Number	AG003N8I(AGN-PC-0KKWB7)
Chemical Name	6-hydroxypyridazine-3-carboxylic acid hydrate
IUPAC Name	6-oxo-1H-pyridazine-3-carboxylic acid;hydrate
InChI	InChI=1S/C5H4N2O3.H2O/c8-4-2-1-3(5(9)10)6-7-4;/h1-2H,(H,7,8)(H,9,10);1H2
InChI Key	DZCBVXKRERSHAA-UHFFFAOYSA-N
MDL Number	MFCD02090600
Molecular Formula	C5H6N2O4
Molecular Weight	158.1121
SMILES	O=C(C1=NN=C(O)C=C1)O.[H]O[H]
Synonyms	306934-80-5, 6-HYDROXY-3-PYRIDAZINECARBOXYLIC ACID MONOHYDRATE, 6-Hydroxypyridazine-3-carboxylic acid hydrate, 6-Oxo-1,6-dihydropyridazine-3-carboxylic acid monohydrate, 6-oxo-1H-pyridazine-3-carboxylic Acid Hydrate, 6-oxo-1,6-dihydropyridazine-3-carboxylic acid hydrate, 3-Pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-, monohydrate, 6-oxohydropyridazine-3-carboxylic acid, hydrate, AC1MCORK, AC1Q59CT, SCHEMBL938505, CTK1C1854, DTXSID90379151, DZCBVXKRERSHAA-UHFFFAOYSA-N, KS-00000CJ3, STR06357, MFCD02090600, SBB053229, WT2059, AKOS015903798, AKOS015950579, PS-8809, RP02010, RTC-064508, TRA0087113, SC-49079, SY006732, AB0035998, AB1000800, TC-064508, FT-0621295, ST50949629, Y3008, 6-Hydroxy-3-pyridazinecarboxylicAcidMonohydrate, K-7331, 11148-EP2316458A1, 11148-EP2316827A1, MFCD09258787 (97+%), 6-Oxo-1,6-dihydropyridazine-3-carboxylic acid mono, I14-17534, 1,6-Dihydro-6-oxopyridazine-3-carboxylic acid monohydrate, 37972-69-3 6-hydroxy-3-pyridazinecarboxylic acid monohydrate, 6-Oxo-1,6-dihydro-3-pyridazinecarboxylic acid hydrate (1:1), 6-Oxo-1,6-dihydropyridazine-3-carboxylic acid--water (1/1), 3-Pyridazinecarboxylicacid, 1,6-dihydro-6-oxo-, hydrate (1:1), 6-oxo-1,6-dihydropyridazine-3-carboxylic acid monohydrate, AldrichCPR, null, C5H4N2O3.H2O, 3-Hydroxypyridazine-6-carboxylic acid, CID2774651, 37972-69-3, 6-OXO-1,6-DIHYDROPYRIDAZINE-3-CARBOXYLICACIDMONOHYDRATE, 3-Pyridazinecarboxylic acid, 1,6-dihydro-6-oxo-, monohydrate (9CI), 104-97-2, 501-29-1,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.033g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	158.113g/mol
Monoisotopic Mass	158.033g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number