AG009XCE

13599-24-1 | ETHYL 5-PHENYL-3-ISOXAZOLECARBOXYLATE

AG009XCE

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CAS Number	13599-24-1
Catalog Number	AG009XCE(AGN-PC-0L74H8)
Chemical Name	ETHYL 5-PHENYL-3-ISOXAZOLECARBOXYLATE
IUPAC Name	ethyl 3-phenyl-1,2-oxazole-5-carboxylate
InChI	InChI=1S/C12H11NO3/c1-2-15-12(14)11-8-10(13-16-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChI Key	XYKADOXYAZEDNB-UHFFFAOYSA-N
MDL Number	MFCD03826509
Molecular Formula	C12H11NO3
Molecular Weight	217.2206
SMILES	O=C(C1=CC(C2=CC=CC=C2)=NO1)OCC
Synonyms	ethyl 3-phenylisoxazole-5-carboxylate, 13599-24-1, ethyl 3-phenyl-1,2-oxazole-5-carboxylate, XYKADOXYAZEDNB-UHFFFAOYSA-N, AC1N5SNF, SCHEMBL892695, CTK6F7836, KS-00000IAO, DTXSID10400794, HMS1609H14, ZINC266288, ALBB-009871, ANW-73486, MFCD03826509, SBB026419, STK353346, ethyl 3-phenyl-5-isoxazolecarboxylate, AKOS001597562, MCULE-5010679585, AJ-18597, AK-58506, AM807490, DS-16162, AB0072061, TR-061456, R7957, ST45135037, 3-Phenylisoxazole-5-carboxylic acid ethyl ester, 5-Isoxazolecarboxylic acid, 3-phenyl-, ethyl ester, Ethyl 5-phenyl-3-isoxazolecarboxylate, Ethyl3-phenylisoxazole-5-carboxylate, CID4201981,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	217.074g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.224g/mol
Monoisotopic Mass	217.074g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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