AG003Q08

39512-59-9 | ETHYL 1,2,4-OXADIAZOLE-3-CARBOXYLATE

AG003Q08

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CAS Number	39512-59-9
Catalog Number	AG003Q08(AGN-PC-0KKOAO)
Chemical Name	ETHYL 1,2,4-OXADIAZOLE-3-CARBOXYLATE
IUPAC Name	ethyl 1,2,4-oxadiazole-3-carboxylate
InChI	InChI=1S/C5H6N2O3/c1-2-9-5(8)4-6-3-10-7-4/h3H,2H2,1H3
InChI Key	ZOQYOUPZOHBXRF-UHFFFAOYSA-N
MDL Number	MFCD06245497
Molecular Formula	C5H6N2O3
Molecular Weight	142.1127
SMILES	O=C(C1=NOC=N1)OCC
Synonyms	ethyl 1,2,4-oxadiazole-3-carboxylate, 39512-59-9, 1,2,4-Oxadiazole-3-carboxylic acid, ethyl ester, AC1MC3TQ, SCHEMBL1110118, CTK4I1455, KS-00000BVU, ZOQYOUPZOHBXRF-UHFFFAOYSA-N, ALBB-011892, ZINC1494943, 6635AJ, MFCD06245497, SBB050948, STL433139, AKOS005173469, Ethyl1,2,4-Oxadiazole-3-carboxylate, 3-(Ethoxycarbonyl)-1,2,4-oxadiazole, MCULE-3139078948, PS-9008, TRA0061508, SY033077, ST4149938, CS-0062446, FT-0676552, R9116, MFCD06245497 (97%), Z1483991925, C5H6N2O3, ZINC01494943, CID2760947, ETHYL-1,2,4-OXADIAZOLE-3-CARBOXYLATE, 2-fluoro-6-methoxypyridin-3-ylboronic acid, 1-Acetyl-N-(2-methoxyethyl)piperidin-4-amine, 16223-25-9, 1402238-30-5, 351003-06-0,

Complexity	128
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	142.038g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	142.114g/mol
Monoisotopic Mass	142.038g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	65.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

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