AG003UBE

16887-79-9 | Sodium isonicotinate tetrahydrate

AG003UBE

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CAS Number	16887-79-9
Catalog Number	AG003UBE(AGN-PC-0Q9BUR)
Chemical Name	Sodium isonicotinate tetrahydrate
IUPAC Name	sodium;pyridine-4-carboxylate
InChI	InChI=1S/C6H5NO2.Na/c8-6(9)5-1-3-7-4-2-5;/h1-4H,(H,8,9);/q;+1/p-1
InChI Key	PVXCGWNPDFFPOV-UHFFFAOYSA-M
MDL Number	MFCD00064868
Molecular Formula	C6H4NNaO2
Molecular Weight	145.0912
SMILES	O=C([O-])C1=CC=NC=C1.[Na+]
UNII	4N428DW41J
Synonyms	Sodium isonicotinate, 16887-79-9, Isonicotinic Acid Sodium Salt, Sodium 4-pyridinecarboxylate, ISONICOTINIC ACID, SODIUM SALT, 4-Pyridinecarboxylic acid, sodium salt, UNII-4N428DW41J, Sodium salt of isonicotinic acid, Sodium Pyridine-4-carboxylate, 4N428DW41J, Isonicotinic acid sodium, ACMC-209dz0, AC1Q1V5M, sodium;pyridine-4-carboxylate, SCHEMBL5858849, CTK8B0974, DTXSID00168614, ANW-22378, MFCD00064868, AKOS003051495, AKOS022190863, Pyridine-4-carboxylic Acid Sodium Salt, LS-85019, 4-Pyridinecarboxylicacid,sodium salt(1:1), TC-111123, FT-0637453, P0991, 4-Pyridinecarboxylic acid, sodium salt (9CI), C6H4NO2.Na, C6-H4-N-O2.Na, CID28125,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	145.014g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	145.093g/mol
Monoisotopic Mass	145.014g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	53A^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