AG002AI3

206055-86-9 | 5-Isoxazolemethanol, 3-(4-methoxyphenyl)-

AG002AI3

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CAS Number	206055-86-9
Catalog Number	AG002AI3(AGN-PC-0K5OEC)
Chemical Name	5-Isoxazolemethanol, 3-(4-methoxyphenyl)-
IUPAC Name	[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol
InChI	InChI=1S/C11H11NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-6,13H,7H2,1H3
InChI Key	SROFDUACOHNMJB-UHFFFAOYSA-N
MDL Number	MFCD04124287
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	COC1=CC=C(C=C1)C2=NOC(=C2)CO
Synonyms	206055-86-9, [3-(4-methoxyphenyl)isoxazol-5-yl]methanol, [3-(4-Methoxyphenyl)-5-isoxazolyl]methanol, [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol, (3-(4-METHOXYPHENYL)ISOXAZOL-5-YL)METHANOL, [3-(4-METHOXY-PHENYL)-ISOXAZOL-5-YL]-METHANOL, [3-(4-Methoxyphenyl)isoxazol-5yl]methanol, SROFDUACOHNMJB-UHFFFAOYSA-N, J-501076, [3-(4-methoxyphenyl)isoxazol-5-yl]methan-1-ol, [3-(4-methoxy-phenyl)-isoxazol-5-yl]-methanol, AldrichCPR, AC1LSUWU, PubChem15847, methoxyphenylisoxazolylmethanol, SCHEMBL1566577, CHEMBL4103802, CTK8B6055, DTXSID60362999, KS-00000K1M, ZINC1383163, ZX-AT002738, ANW-52333, MFCD04124287, SBB026859, STK510270, AKOS005069495, AB20793, CM-1045, MCULE-1348444304, OR14216, RP11948, RTR-009635, VZ20084, 3-(4-Methoxyphenyl)isoxazole-5-methanol, 11L-326S, ACM206055869, AJ-25409, AK-22043, AN-29779, BR-22043, EN000626, ZB016532, 5-Isoxazolemethanol, 3-(4-methoxyphenyl)-, AB0023305, AX8027991, ST2414053, ST4151042, TR-009635, 4CH-012869, AM20060983, CS-0085255, FT-0652130, W4332, [3-(4-Methoxyphenyl)-isoxazol-5-yl]-methanol, EN300-232149, M60112, S-3630, 055M869, A814736, SR-01000307897, I01-3398, SR-01000307897-1, C11H11NO3, ZINC01383163, CID1471841,

Complexity	192
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.074g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.213g/mol
Monoisotopic Mass	205.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

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

Lot Number