3'-Ethoxy-4'-methoxyacetophenone - CAS 31526-71-3

Catalog:	BB020962
Product Name:	3'-Ethoxy-4'-methoxyacetophenone
CAS:	31526-71-3
Synonyms:	1-(3-ethoxy-4-methoxyphenyl)ethanone; 1-(3-ethoxy-4-methoxyphenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(3-ethoxy-4-methoxyphenyl)ethanone
Description:	3'-Ethoxy-4'-methoxyacetophenone (CAS# 31526-71-3 ) is a useful research chemical.
Molecular Weight:	194.23
Molecular Formula:	C11H14O3
Canonical SMILES:	CCOC1=C(C=CC(=C1)C(=O)C)OC
InChI:	InChI=1S/C11H14O3/c1-4-14-11-7-9(8(2)12)5-6-10(11)13-3/h5-7H,4H2,1-3H3
InChI Key:	VYPAEKCKAWMJED-UHFFFAOYSA-N
LogP:	2.29650

Publication Number	Title	Priority Date
EP-3356327-A1	Processes for the preparation of apremilast and intermediates thereof	20150929
WO-2017059040-A1	Processes for the preparation of apremilast and intermediates thereof	20150929
EP-3144393-A1	A synthetic pathway towards apremilast	20150918
WO-2017046319-A1	A synthetic pathway towards apremilast	20150918
WO-2017022471-A1	Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same	20150803

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Carbonyl Compounds

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[17746-05-3]
Undecanoyl chloride
[70199-62-1]
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Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.094294304
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.094294304
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2