AG001B1B

139443-40-6 | Ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate

AG001B1B

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CAS Number	139443-40-6
Catalog Number	AG001B1B(AGN-PC-003A89)
Chemical Name	Ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate
IUPAC Name	ethyl 3-ethyl-1,2,4-oxadiazole-5-carboxylate
InChI	InChI=1S/C7H10N2O3/c1-3-5-8-6(12-9-5)7(10)11-4-2/h3-4H2,1-2H3
InChI Key	BHPIMJOELWDAGZ-UHFFFAOYSA-N
MDL Number	MFCD08275043
Molecular Formula	C7H10N2O3
Molecular Weight	170.1659
SMILES	O=C(C1=NC(CC)=NO1)OCC
Synonyms	139443-40-6, ETHYL 3-ETHYL-1,2,4-OXADIAZOLE-5-CARBOXYLATE, 3-Ethyl-[1,2,4]oxadiazole-5-carboxylic acid ethyl ester, 1,2,4-OXADIAZOLE-5-CARBOXYLIC ACID, 3-ETHYL-, ETHYL ESTER, SCHEMBL9461101, KS-00003GXI, DTXSID50566727, ALBB-026661, ZX-AN025170, ZX-RL004393, HTS009137, MFCD08275043, SBB088391, ZINC34425932, AKOS012662969, AB44611, AS-5240, AJ-88475, BBV-37220338, OR300637, SC-32692, AB0002761, DB-063309, FT-0755366, 3-ethyl-1,2,4-Oxadiazole-5-carboxylic acid ethyl ester, 3-Ethyl-1,2,4oxadiazole-5-carboxylic acid ethyl ester, C7H10N2O3, T0055, ETHYL3-ETHYL-1,2,4-OXADIAZOLE-5-CARBOXYLATE, 1,2,4-Oxadiazole-5-carboxylic acid, 3-ethyl-, ethyl ester (9CI),

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.069g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.168g/mol
Monoisotopic Mass	170.069g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	65.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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