AG00761E

40019-21-4 | Ethyl 3-methyl-1,2,4-oxadiazole-5-carboxylate

AG00761E

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CAS Number	40019-21-4
Catalog Number	AG00761E(AGN-PC-03C1WH)
Chemical Name	Ethyl 3-methyl-1,2,4-oxadiazole-5-carboxylate
IUPAC Name	ethyl 3-methyl-1,2,4-oxadiazole-5-carboxylate
InChI	InChI=1S/C6H8N2O3/c1-3-10-6(9)5-7-4(2)8-11-5/h3H2,1-2H3
InChI Key	YPNCRQZLESKCGY-UHFFFAOYSA-N
MDL Number	MFCD08275042
Molecular Formula	C6H8N2O3
Molecular Weight	156.1393
SMILES	CCOC(=O)C1=NC(C)=NO1
Synonyms	40019-21-4, ETHYL 3-METHYL-1,2,4-OXADIAZOLE-5-CARBOXYLATE, 3-Methyl-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester, Ethyl3-methyl-1,2,4-oxadiazole-5-carboxylate, 1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID, 3-METHYL-, ETHYL ESTER, 3-methyl-1,2,4-Oxadiazole-5-carboxylic acid ethyl ester, SCHEMBL7400591, CTK4I2276, KS-00000BWU, DTXSID60615033, YPNCRQZLESKCGY-UHFFFAOYSA-N, 5295AB, ANW-73999, HTS009136, MFCD08275042, SBB087128, ZINC43220518, AKOS012662921, AB44610, AS-5042, AK-89636, SC-33594, SY036693, AB0001160, AJ-108511, DB-069915, TR-072124, A6687, FT-0682807, ST24046963, MFCD08275042 (95%), I04-4066, Ethyl 3-methyl-1,2,4-oxadiazole-5-carboxylate, 98%, 3-methyl-1,2,4oxadiazole-5-carboxylic acid ethyl ester, C6H8N2O3,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	156.053g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	156.141g/mol
Monoisotopic Mass	156.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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