AG0027MJ

1835-11-6 | Ethanone, 1-[3-methoxy-4-(phenylmethoxy)phenyl]-

AG0027MJ

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CAS Number	1835-11-6
Catalog Number	AG0027MJ(AGN-PC-0JM3HN)
Chemical Name	Ethanone, 1-[3-methoxy-4-(phenylmethoxy)phenyl]-
IUPAC Name	1-(3-methoxy-4-phenylmethoxyphenyl)ethanone
InChI	InChI=1S/C16H16O3/c1-12(17)14-8-9-15(16(10-14)18-2)19-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChI Key	HRUAWSQBQLYDKH-UHFFFAOYSA-N
MDL Number	MFCD00017326
Molecular Formula	C16H16O3
Molecular Weight	256.2964
NSC Number	201234
SMILES	C(C1=CC=CC=C1)OC1=C(C=C(C=C1)C(C)=O)OC
Synonyms	1835-11-6, 1-(4-(benzyloxy)-3-methoxyphenyl)ethanone, 4'-Benzyloxy-3'-methoxyacetophenone, 4-Benzyloxy-3-methoxyacetophenone, Acetophenone, 4'-(benzyloxy)-3'-methoxy-, 1-(3-Methoxy-4-(phenylmethoxy)phenyl)ethanone, 1-[4-(Benzyloxy)-3-methoxyphenyl]ethanone, 1-(3-methoxy-4-phenylmethoxyphenyl)ethanone, NSC 201234, BRN 1885776, 1-[4-(benzyloxy)-3-methoxyphenyl]ethan-1-one, HRUAWSQBQLYDKH-UHFFFAOYSA-N, Ethanone, 1-(3-methoxy-4-(phenylmethoxy)phenyl)-, Ethanone, 1-[3-methoxy-4-(phenylmethoxy)phenyl]-, MFCD00017326, 1-(4-Benzyloxy-3-methoxyphenyl)ethanone, Ethanone,1-[3-methoxy-4-(phenylmethoxy)phenyl]-, 1-acetyl-3-methoxy-4-(phenylmethoxy)benzene, NSC201234, AC1L40QO, 4-08-00-01817 (Beilstein Handbook Reference), SCHEMBL340620, CHEMBL3278087, CTK4D8505, DTXSID20171428, ZERO/004735, ZINC1735205, ANW-52316, SBB008382, STK785189, AKOS000181559, AB01237, CS-W012563, FR-1327, GS-4500, MCULE-1279539203, NSC-201234, RP29131, TRA0018477, VZ27315, AJ-31329, AK-39328, AN-49965, BR-39328, CJ-06974, CJ-29522, LS-13384, SC-21965, 1-(4-benzyloxy-3-methoxy-phenyl)ethanone, 1-(4-Benzyloxy-3-methoxy-phenyl)-ethanone, AB0023000, ST2414993, ST4128588, TR-008461, 4CH-015597, FT-0617654, W3978, 1-(3-methoxy-4-phenylmethoxy-phenyl)ethanone, 1-[4-(benzyloxy)-3-methoxyphenyl]-1-ethanone, 1-[4-(Benzyloxy)-3-methoxyphenyl]ethanone #, S-2879, 835B116, A812788, J-503201, I14-11813, Ethanone, 1-(3-methoxy-4-(phenylmethoxy)phenyl)- (9CI), C16H16O3, CID99215, C16-H16-O3,

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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