AG000LI7

1240605-84-8 | 1,2,4-Oxadiazole-5-carboxylic acid, 3-methyl-, potassium salt (1:1)

AG000LI7

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CAS Number	1240605-84-8
Catalog Number	AG000LI7(AGN-PC-0AB51U)
Chemical Name	1,2,4-Oxadiazole-5-carboxylic acid, 3-methyl-, potassium salt (1:1)
IUPAC Name	potassium;3-methyl-1,2,4-oxadiazole-5-carboxylate
InChI	InChI=1S/C4H4N2O3.K/c1-2-5-3(4(7)8)9-6-2;/h1H3,(H,7,8);/q;+1/p-1
InChI Key	NBBFQIVKIMZODB-UHFFFAOYSA-M
MDL Number	MFCD16990593
Molecular Formula	C4H3KN2O3
Molecular Weight	166.1765
SMILES	[K+].CC1=NOC(=N1)C([O-])=O
Synonyms	Potassium 3-methyl-1,2,4-oxadiazole-5-carboxylate, 1240605-84-8, SCHEMBL18336586, CTK8C0288, DTXSID90716885, 4553AA, ANW-64443, MFCD16990593, AKOS006229252, NE47016, SC-66443, AB0047395, TC-153188, ST24048989, Z1945696035, Potassium 3-methyl-1,2,4-oxadiazole-5-carboxylate, 98%, 1,2,4-Oxadiazole-5-carboxylic acid, 3-methyl-, potassium salt (1:1), C4H3KN2O3,

Complexity	132
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	165.978g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.177g/mol
Monoisotopic Mass	165.978g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	79A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

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