AG0009DW

1137-71-9 | 1-(3,4-Diethoxyphenyl)ethanone

AG0009DW

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CAS Number	1137-71-9
Catalog Number	AG0009DW(AGN-PC-0JV64J)
Chemical Name	1-(3,4-Diethoxyphenyl)ethanone
IUPAC Name	1-(3,4-diethoxyphenyl)ethanone
InChI	InChI=1S/C12H16O3/c1-4-14-11-7-6-10(9(3)13)8-12(11)15-5-2/h6-8H,4-5H2,1-3H3
InChI Key	GYFUKZCPECCHTB-UHFFFAOYSA-N
MDL Number	MFCD00277131
Molecular Formula	C12H16O3
Molecular Weight	208.2536
SMILES	CC(C1=CC=C(OCC)C(OCC)=C1)=O
Synonyms	1-(3,4-diethoxyphenyl)ethanone, 1137-71-9, 1-(3,4-diethoxyphenyl)ethan-1-one, 3',4'-Diethoxyacetophenone, 1,2-diethoxy-4-acetylbenzene, Ethanone,1-(3,4-diethoxyphenyl)-, AC1LDY2E, AC1Q37HD, SCHEMBL3034164, CTK4A8430, ZINC86210, DTXSID50351554, ALBB-004402, 1-(3,4-Diethoxy-phenyl)-ethanone, 9093AC, BBL004029, CCG-42218, MFCD00277131, STK288941, Ethanone, 1-(3,4-diethoxyphenyl)-, 1-ACETYL-3,4-DIETHOXYBENZENE, AKOS000200973, AS05164, MCULE-7067567406, TR-002629, BB 0254748, CS-0061637, FT-0679018, R2804, EN300-08620, SR-01000632233-1, I14-26881, F1909-0040, C12H16O3, CID703265, ZINC00086210,

Complexity	203
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.11g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	208.257g/mol
Monoisotopic Mass	208.11g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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