AG003M65

33282-16-5 | 5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid

AG003M65

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CAS Number	33282-16-5
Catalog Number	AG003M65(AGN-PC-0K0E5T)
Chemical Name	5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid
IUPAC Name	5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
InChI	InChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)10-6-9(11(13)14)12-16-10/h2-6H,1H3,(H,13,14)
InChI Key	YIQABFVYNGOELP-UHFFFAOYSA-N
MDL Number	MFCD02130994
Molecular Formula	C11H9NO4
Molecular Weight	219.1935
SMILES	O=C(C1=NOC(C2=CC=C(OC)C=C2)=C1)O
Synonyms	5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid, 33282-16-5, 5-(4-Methoxy-phenyl)-isoxazole-3-carboxylic acid, 5-(4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid, BAS 07803748, 3-ISOXAZOLECARBOXYLIC ACID, 5-(4-METHOXYPHENYL)-, AC1LLVGS, UPCMLD-DP154, MLS000716391, SCHEMBL892240, CHEMBL1413079, UPCMLD-DP154:001, CTK1C0895, KS-00000CQB, DTXSID60360218, YIQABFVYNGOELP-UHFFFAOYSA-N, HMS2647P09, ZINC810963, ALBB-009772, BBL010112, MFCD02130994, SBB006948, STK344189, AKOS000137612, AB10942, MCULE-5960806869, TRA0042698, NCGC00161676-01, AJ-23950, AK-83468, AS-10045, SMR000277908, SY015576, AB0059476, DB-024557, TR-042830, AM20040192, CS-0085286, FT-0737960, ST45115069, EN300-92858, 5-(4-Methoxyphenyl)isoxazole-3-carboxylicAcid, 83M474, K-7680, 3-Isoxazolecarboxylicacid, 5-(4-methoxyphenyl)-, MFCD02130994 (97+%), SR-01000368335, I04-9613, J-019124, SR-01000368335-1, 5-(4-Methoxyphenyl)isoxazole-3-carboxylic acid, 97%, Z57140982, F1984-0181, 5- ISOXAZOLE-3-CARBOXYL&, CID1090978, 1,5,6,7-tetrahydro-4H-indazol-4-one, 5-(4-METHOXYPHENYL)ISOXAZOLE-3-CARBOXYL, 618383-47-4,

Complexity	250
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.053g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	219.196g/mol
Monoisotopic Mass	219.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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