1-(4-Methoxyphenyl)cyclobutanecarbonitrile - CAS 29786-45-6

Catalog:	BB020322
Product Name:	1-(4-Methoxyphenyl)cyclobutanecarbonitrile
CAS:	29786-45-6
Synonyms:	1-(4-methoxyphenyl)-1-cyclobutanecarbonitrile; 1-(4-methoxyphenyl)cyclobutane-1-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	1-(4-methoxyphenyl)cyclobutane-1-carbonitrile
Description:	1-(4-Methoxyphenyl)cyclobutanecarbonitrile (CAS# 29786-45-6 ) is a useful research chemical.
Molecular Weight:	187.24
Molecular Formula:	C12H13NO
Canonical SMILES:	COC1=CC=C(C=C1)C2(CCC2)C#N
InChI:	InChI=1S/C12H13NO/c1-14-11-5-3-10(4-6-11)12(9-13)7-2-8-12/h3-6H,2,7-8H2,1H3
InChI Key:	KKMVJOZLYNVVSK-UHFFFAOYSA-N
MDL:	MFCD00297175
LogP:	2.64048

Publication Number	Title	Priority Date
CA-3001666-A1	Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20151012
EP-3362445-A1	Oxadiazole amine derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20151012
JP-2018530571-A	Oxadiazoleamine derivative compound as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same	20151012
JP-6697074-B2	Oxadiazole amine derivative compound as histone deacetylase 6 inhibitor and pharmaceutical composition containing the same	20151012
KR-101839137-B1	Oxadiazole Amine Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20151012

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Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.099714038
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4