AG002N76

23428-77-5 | Ethanone, 1-[4-Methoxy-3-(phenylMethoxy)phenyl]-

AG002N76

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CAS Number	23428-77-5
Catalog Number	AG002N76(AGN-PC-0JOQ7L)
Chemical Name	Ethanone, 1-[4-Methoxy-3-(phenylMethoxy)phenyl]-
IUPAC Name	1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
InChI	InChI=1S/C16H16O3/c1-12(17)14-8-9-15(18-2)16(10-14)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChI Key	KENKREVUSRTHDA-UHFFFAOYSA-N
MDL Number	MFCD00183289
Molecular Formula	C16H16O3
Molecular Weight	256.2964
NSC Number	204990
SMILES	CC(C1=CC=C(OC)C(OCC2=CC=CC=C2)=C1)=O
Synonyms	1-(3-(Benzyloxy)-4-methoxyphenyl)ethanone, 23428-77-5, MLS003107196, 1-(4-methoxy-3-phenylmethoxyphenyl)ethanone, Ethanone, 1-[4-methoxy-3-(phenylmethoxy)phenyl]-, NSC204990, AC1L7AEI, Acetovanillone benzyl ether, SCHEMBL9236564, CHEMBL2142452, DTXSID80308571, ZINC1740632, MFCD00183289, AKOS016013784, DS-5579, MCULE-7337687104, NSC-204990, 4'-(Benzyloxy)-3'-methoxy-acetophenone, AJ-31382, AK127670, SMR001822072, 1-(3-(benzyloxy)-4-methoxyphenyl)ethan-1-one, 1-(3-BENZYLOXY-4-METHOXY-PHENYL)-ETHANONE, CID307190, NSC 201234, 1-(4-Benzyloxy-3-methoxyphenyl)ethanone, 1-[3-Methoxy-4-(phenylmethoxy)phenyl]ethanone, 1835-11-6,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.11g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.301g/mol
Monoisotopic Mass	256.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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