AG003I4W

618383-47-4 | 3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid

AG003I4W

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CAS Number	618383-47-4
Catalog Number	AG003I4W(AGN-PC-0K0YRZ)
Chemical Name	3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
IUPAC Name	3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
InChI	InChI=1S/C11H9NO4/c1-15-8-4-2-7(3-5-8)9-6-10(11(13)14)16-12-9/h2-6H,1H3,(H,13,14)
InChI Key	WEFMAZCRNQZFAY-UHFFFAOYSA-N
MDL Number	MFCD04124288
Molecular Formula	C11H9NO4
Molecular Weight	219.1935
SMILES	COC1=CC=C(C=C1)C2=NOC(=C2)C(=O)O
Synonyms	618383-47-4, 3-(4-methoxyphenyl)isoxazole-5-carboxylic acid, 3-(4-Methoxyphenyl)-5-isoxazolecarboxylic acid, 3-(4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid, 3-(4-Methoxy-phenyl)-isoxazole-5-carboxylic acid, AC1LMMXH, BAS 10151642, SCHEMBL2730319, CTK2F2654, KS-00000NAU, DTXSID50360641, methoxyphenylisoxazolecarboxylicacid, WEFMAZCRNQZFAY-UHFFFAOYSA-N, ZINC873831, ALBB-009881, ANW-51592, MFCD04124288, SBB007283, STK341644, AKOS000302943, MCULE-7513134172, RP12670, RTR-021269, TRA0052958, 11L-327S, AJ-24095, AK-22044, BR-22044, EN000320, ST073629, AB0025845, DB-001888, ST2417373, 4CH-015359, AM20060406, FT-0677357, W7389, EN300-92825, 5-Isoxazolecarboxylicacid,3-(4-methoxyphenyl)-, 82M165, S-3340, 3-(4-Methoxyphenyl)-5-isoxazole carboxylic acid, 5-Isoxazolecarboxylicacid, 3-(4-methoxyphenyl)-, 5-Isoxazolecarboxylic acid, 3-(4-methoxyphenyl)-, SR-01000368583, J-510727, SR-01000368583-1, 3-(4-METHOXYPHENYL)-5-ISOXAZOLECARBOXYLICACID, Z1741972307, C11H9NO4, 2-Iodo-alpha-phenylbenzenemethanol, 3- -5-ISOXAZOLECARBOXYLICACID, CID1132970, 33282-16-5,

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	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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