AG005M7K

80370-40-7 | Ethyl isoxazole-4-carboxylate

AG005M7K

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CAS Number	80370-40-7
Catalog Number	AG005M7K(AGN-PC-00PSVJ)
Chemical Name	Ethyl isoxazole-4-carboxylate
IUPAC Name	ethyl 1,2-oxazole-4-carboxylate
InChI	InChI=1S/C6H7NO3/c1-2-9-6(8)5-3-7-10-4-5/h3-4H,2H2,1H3
InChI Key	SNBLIYQEFSVZLK-UHFFFAOYSA-N
MDL Number	MFCD07368244
Molecular Formula	C6H7NO3
Molecular Weight	141.1247
SMILES	C(=O)(OCC)c1cnoc1
Synonyms	ETHYL ISOXAZOLE-4-CARBOXYLATE, 80370-40-7, ethyl 1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylic acid ethyl ester, ISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTER, 4-Isoxazolecarboxylic acid, ethyl ester, Ethyl 4-isoxazolecarboxylic acid, PubChem24246, ACMC-209pjc, 4-ethoxycarbonylisoxazole, 3-ethylisoxazole-4-carboxylate, SCHEMBL8094744, CTK5E7722, DTXSID20575301, ACT01863, ALBB-016382, KS-000007AA, ZINC4208879, ANW-37366, MFCD07368244, 4-Isoxazolecarboxylicacid, ethyl ester, AKOS006286528, AM90129, LS20145, PB30887, AJ-48920, AS-34594, CJ-11565, AB0021127, AB1010309, DB-003700, TC-126111, 4CH-001903, CS-0049560, FT-0684029, ST24030686, V2359, Q-1699, I14-17300, C6H7NO3, ISOXAZOLE-4-CARBOXYLICACIDETHYLESTER, 4-Isoxazolecarboxylic acid, ethyl ester (9CI), 675112-70-6,

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	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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