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4-(4-cyclohexyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)benzonitrile

4-(4-cyclohexyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)benzonitrile structure

CAS No:
97720-15-5
Formula:
C18H21NO3
Chemical Name:
4-(4-cyclohexyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)benzonitrile
Synonyms:
Orthobenzoic acid, p-cyano-, cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol;97720-15-5;p-Cyanoorthobenzoic acid cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol;1-(4-Cyanophenyl)-4-cyclohexylbicycloorthocarboxylate;Benzonitrile, 4-(4-cyclohexyl-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)-;SCHEMBL9667455;DTXSID30243185;4-(1-cyclohexyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile

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4-(4-cyclohexyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)benzonitrile Basic Attributes

Molecular Weight：

299.4 g/mol

Exact Mass：

299.15214353 g/mol

DSSTox ID：

DTXSID30243185

Characteristics

PSA：

51.5 Å²

Computed Properties

Molecular Weight:299.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:299.15214353
Monoisotopic Mass:299.15214353
Topological Polar Surface Area:51.5
Heavy Atom Count:22
Complexity:430
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(4-cyclohexyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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