3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile
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![3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c6383651722e4210bd4a1b76bc50bb94.png "3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile")
3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile
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CAS No:
114718-69-3
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Formula:
C10H13N
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Chemical Name:
3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile
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Synonyms:
114718-69-3;114718-70-6;ACMC-1C9W3;Bicyclo(2.2.2)oct-5-ene-2-carbonitrile, 3-methyl-, (1alpha,2beta,3beta,4alpha)- (exo,exo)-;114718-71-7;DTXSID90921477;Bicyclo[2.2.2]oct-5-ene-2-carbonitrile,3-methyl-, (1R,2R,3S,4S)-rel-;114718-72-8;Bicyclo(2.2.2)oct-5-ene-2-carbonitrile, 3-methyl-, (1alpha,2alpha,3alpha,4alpha)- (endo,endo)-;Bicyclo(2.2.2)oct-5-ene-2-carbonitrile, 3-methyl-, (1alpha,2alpha,3beta,4alpha)- (endo,exo)-;Bicyclo(2.2.2)oct-5-ene-2-carbonitrile, 3-methyl-, (1alpha,2beta,3alpha,4alpha)- (exo,endo)-;3-METHYLBICYCLO[2.2.2]OCT-5-ENE-2-CARBONITRILE;Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1.alpha.,2.alpha.,3.alpha.,4.alpha.)- (endo,endo);Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1.alpha.,2.alpha.,3.beta.,4.alpha.)- (endo,exo);Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1.alpha.,2.beta.,3.alpha.,4.alpha.)- (exo,endo);Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1.alpha.,2.beta.,3.beta.,4.alpha.)- (exo,exo)
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CAS No:
Computed Properties
Molecular Weight:147.22
XLogP3:2.3
Hydrogen Bond Acceptor Count:1
Exact Mass:147.104799419
Monoisotopic Mass:147.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:11
Complexity:233
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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