1-Acetyl-2,6-dimethoxynaphthalene - CAS 86539-77-7

Catalog:	BB037980
Product Name:	1-Acetyl-2,6-dimethoxynaphthalene
CAS:	86539-77-7
Synonyms:	1-(2,6-dimethoxy-1-naphthalenyl)ethanone; 1-(2,6-dimethoxynaphthalen-1-yl)ethanone

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2,6-dimethoxynaphthalen-1-yl)ethanone
Description:	1-Acetyl-2,6-dimethoxynaphthalene (CAS# 86539-77-7) is a useful research chemical.
Molecular Weight:	230.26
Molecular Formula:	C14H14O3
Canonical SMILES:	CC(=O)C1=C(C=CC2=C1C=CC(=C2)OC)OC
InChI:	InChI=1S/C14H14O3/c1-9(15)14-12-6-5-11(16-2)8-10(12)4-7-13(14)17-3/h4-8H,1-3H3
InChI Key:	CKJQPCGQBADQGW-UHFFFAOYSA-N
LogP:	3.05960

Publication Number	Title	Priority Date
EP-3081562-A1	Compound for inhibiting activity of glutathione s-transferase omega 1 and preparation method thereof, and pharmaceutical compositions containing compound	20131209
EP-3081562-B1	Compound for inhibiting activity of glutathione s-transferase omega 1 and preparation method thereof, and pharmaceutical compositions containing compound	20131209
JP-2014152177-A	Compound for inhibiting activity of glutathione S-transferase omega1, its preparation method, and pharmaceutical composition containing this compound	20130207
JP-5778301-B2	Compound for inhibiting activity of glutathione S-transferase omega1 and pharmaceutical composition containing the compound	20130207
TW-201431848-A	Compound for inhibiting glutathione S-transferase omega 1 activity and preparation method thereof	20130207

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Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.094294304
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.094294304
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8