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1-(3,5-Dimethoxyphenyl)cyclobutanecarbonitrile

1-(3,5-Dimethoxyphenyl)cyclobutanecarbonitrile - CAS 339094-25-6

Catalog:	BB021892
Product Name:	1-(3,5-Dimethoxyphenyl)cyclobutanecarbonitrile
CAS:	339094-25-6
Synonyms:	1-(3,5-dimethoxyphenyl)-1-cyclobutanecarbonitrile; 1-(3,5-dimethoxyphenyl)cyclobutane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(3,5-dimethoxyphenyl)cyclobutane-1-carbonitrile
Description:	1-(3,5-Dimethoxyphenyl)cyclobutanecarbonitrile (CAS# 339094-25-6 ) is a useful research chemical.
Molecular Weight:	217.26
Molecular Formula:	C13H15NO2
Canonical SMILES:	COC1=CC(=CC(=C1)C2(CCC2)C#N)OC
InChI:	InChI=1S/C13H15NO2/c1-15-11-6-10(7-12(8-11)16-2)13(9-14)4-3-5-13/h6-8H,3-5H2,1-2H3
InChI Key:	LMMZTVODBSHPIT-UHFFFAOYSA-N
LogP:	2.64908

Publication Number	Title	Priority Date
US-2016108016-A1	Novel Cannabinergic Compounds and Uses Thereof	20120906
US-2019185443-A1	Novel Cannabinergic Compounds And Uses Thereof	20120906
WO-2014039042-A1	Novel cannabinergic compounds and uses thereof	20120906
US-10882838-B2	Cannabinergic compounds and uses thereof	20120906
US-2021101878-A1	Cannabinergic Compounds And Uses Thereof	20120906

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]
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[865774-78-3]
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[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine
[351-28-0]
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[1392212-02-0]
Benzyl 7-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate

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Complexity:	278
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.110278721
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.110278721
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4