1-(2-Methylphenyl)cyclobutanecarbonitrile - CAS 29786-39-8

Catalog:	BB020317
Product Name:	1-(2-Methylphenyl)cyclobutanecarbonitrile
CAS:	29786-39-8
Synonyms:	1-(2-methylphenyl)-1-cyclobutanecarbonitrile; 1-(2-methylphenyl)cyclobutane-1-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-methylphenyl)cyclobutane-1-carbonitrile
Description:	1-(2-Methylphenyl)cyclobutanecarbonitrile (CAS# 29786-39-8 ) is a useful research chemical.
Molecular Weight:	171.24
Molecular Formula:	C12H13N
Canonical SMILES:	CC1=CC=CC=C1C2(CCC2)C#N
InChI:	InChI=1S/C12H13N/c1-10-5-2-3-6-11(10)12(9-13)7-4-8-12/h2-3,5-6H,4,7-8H2,1H3
InChI Key:	JKJIAVWVTFWKPR-UHFFFAOYSA-N
LogP:	2.94028

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
CN-108699048-A	As 6 inhibitor oxadiazoles amine derivatives compounds of histone deacetylase and include the pharmaceutical composition of the compound	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

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Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.104799419
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.104799419
Rotatable Bond Count:	1
Topological Polar Surface Area:	23.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8