AG000KCF

123320-44-5 | 5-Isoxazolemethanol, 3-(phenylmethoxy)-

AG000KCF

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CAS Number	123320-44-5
Catalog Number	AG000KCF(AGN-PC-0LQ19O)
Chemical Name	5-Isoxazolemethanol, 3-(phenylmethoxy)-
IUPAC Name	(3-phenylmethoxy-1,2-oxazol-5-yl)methanol
InChI	InChI=1S/C11H11NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-6,13H,7-8H2
InChI Key	HHYMUVTUFJYDSQ-UHFFFAOYSA-N
MDL Number	MFCD23135734
Molecular Formula	C11H11NO3
Molecular Weight	205.2099
SMILES	OCC1=CC(OCC2=CC=CC=C2)=NO1
Synonyms	(3-(Benzyloxy)isoxazol-5-yl)methanol, 123320-44-5, 5-Isoxazolemethanol, 3-(phenylmethoxy)-, (3-phenylmethoxy-1,2-oxazol-5-yl)methanol, AK100566, [3-(benzyloxy)isoxazol-5-yl]methanol, Mysomine, ACMC-20aet9, AC1NT4U0, SCHEMBL322866, CTK0C2916, DTXSID20415894, 4459AA, ANW-70123, MFCD23135734, ZINC33835254, AKOS016001729, CS-W021078, DS-2242, FCH2316293, AJ-86359, CJ-18108, [3-(benzyloxy)-1,2-oxazol-5-yl]methanol, AX8241504, ST2407950, TC-158868, 4CH-012210, KS-00000020, F2199-0080, InChI=1/C11H11NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-6,13H,7-8H, C11H11NO3, CID5324208, 532-12-7,

Complexity	183
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	4
Topological Polar Surface Area	55.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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