1,5-Dimethoxynaphthalene - CAS 10075-63-5

Catalog:	BB000330
Product Name:	1,5-Dimethoxynaphthalene
CAS:	10075-63-5
Synonyms:	1,5-dimethoxynaphthalene

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Computed Properties

IUPAC Name:	1,5-dimethoxynaphthalene
Description:	1,5-Dimethoxynaphthalene (CAS# 10075-63-5) is a useful research chemical.
Molecular Weight:	188.22
Molecular Formula:	C12H12O2
Canonical SMILES:	COC1=CC=CC2=C1C=CC=C2OC
InChI:	InChI=1S/C12H12O2/c1-13-11-7-3-6-10-9(11)5-4-8-12(10)14-2/h3-8H,1-2H3
InChI Key:	ANCSPRJFGGDREM-UHFFFAOYSA-N
Boiling Point:	311.2 °C at 760 mmHg
Melting Point:	180-184 °C (lit.)
Purity:	95 %
Density:	1.097 g/cm³
Appearance:	Solid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00086779
LogP:	2.85700

Publication Number	Title	Priority Date
WO-2020223243-A1	Method for improving cement toughness	20190429
WO-2020115936-A1	Liquid crystal composition and liquid crystal display element	20181206
CN-108530242-A	A kind of direct nitration method of electron rich aromatic hydrocarbons	20180612
CN-110143858-A	Biologically active Multi substituted benzenes compound and its preparation method and application	20180212
WO-2019153954-A1	Multi-substituted benzene compound having biological activity, preparation method therefor, and application thereof	20180212

PMID	Publication Date	Title	Journal
21192632	20110121	Visible-light photoredox catalysis: dehalogenation of vicinal dibromo-, α-halo-, and α,α-dibromocarbonyl compounds	The Journal of organic chemistry
12895093	20030808	Role of face-to-face and edge-to-face aromatic interactions in the inclusion complexation of cyclobis(paraquat-p-phenylene): a theoretical study	The Journal of organic chemistry

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Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.083729621
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.083729621
Rotatable Bond Count:	2
Topological Polar Surface Area:	18.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6