AG00C6P3

3209-70-9 | Ethyl isoxazole-3-carboxylate

AG00C6P3

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CAS Number	3209-70-9
Catalog Number	AG00C6P3(AGN-PC-0MXN3D)
Chemical Name	Ethyl isoxazole-3-carboxylate
IUPAC Name	ethyl 1,2-oxazole-3-carboxylate
InChI	InChI=1S/C6H7NO3/c1-2-9-6(8)5-3-4-10-7-5/h3-4H,2H2,1H3
InChI Key	RKXWKTOBQOSONL-UHFFFAOYSA-N
MDL Number	MFCD08234628
Molecular Formula	C6H7NO3
Molecular Weight	141.1247
SMILES	C(=O)(OCC)c1ccon1
Synonyms	ethyl isoxazole-3-carboxylate, 3209-70-9, Ethyl 1,2-oxazole-3-carboxylate, 3-ethoxycarbonylisoxazole, isoxazole-3-carboxylic acid ethyl ester, 3-ISOXAZOLECARBOXYLIC ACID, ETHYL ESTER, 3-carboethoxy isoxazole, PubChem15841, SCHEMBL1810135, CTK4G8205, DTXSID20434429, RKXWKTOBQOSONL-UHFFFAOYSA-N, ETHYLISOXAZOLE-3-CARBOXYLATE, ANW-63845, MFCD08234628, ZINC26547637, 3-Isoxazolecarboxylicacid, ethyl ester, AKOS003672831, PB14547, SB01014, AJ-82599, EN000026, SC-45742, TS-01838, AB1011533, DB-013152, TC-072541, CS-0049561, FT-0686490, ST24047176, X5534, 3-ISOXAZOLECARBOXYLIC ACID,ETHYL ESTER, C-8046, null, C6H7NO3, ACN-051280, CID10034712, C2388,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	141.043g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	141.126g/mol
Monoisotopic Mass	141.043g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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