AG0038WB

19703-92-5 | 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid

AG0038WB

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CAS Number	19703-92-5
Catalog Number	AG0038WB(AGN-PC-043CEZ)
Chemical Name	5-Methyl-1,2,4-oxadiazole-3-carboxylic acid
IUPAC Name	5-methyl-1,2,4-oxadiazole-3-carboxylic acid
InChI	InChI=1S/C4H4N2O3/c1-2-5-3(4(7)8)6-9-2/h1H3,(H,7,8)
InChI Key	UGENJCBDFKUWDO-UHFFFAOYSA-N
MDL Number	MFCD08236814
Molecular Formula	C4H4N2O3
Molecular Weight	128.0862
SMILES	CC1=NC(=NO1)C(=O)O
Synonyms	5-Methyl-1,2,4-oxadiazole-3-carboxylic acid, 19703-92-5, 1,2,4-OXADIAZOLE-3-CARBOXYLIC ACID, 5-METHYL-, SCHEMBL1760325, CTK0H2296, DTXSID00634263, UGENJCBDFKUWDO-UHFFFAOYSA-N, BCP21985, 6632AD, MFCD08236814, SBB053248, ZINC20357823, AKOS012689278, AB44082, NE53116, AJ-77185, SC-14656, SY026691, TS-00013, DB-058019, BB 0257126, FT-0755685, EN300-80538, KS-00000063, MFCD08236814 (95%), 1,2,4-Oxadiazole-3-carboxylicacid, 5-methyl-, A1-01001, 5-Methyl-1,2,4-oxadiazole-3-carboxylic acid, AldrichCPR, C4H4N2O3,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	128.022g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	128.087g/mol
Monoisotopic Mass	128.022g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	76.2A^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

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