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

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

CAS No:
97720-14-4
Formula:
C16H19NO3
Chemical Name:
4-(4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)benzonitrile
Synonyms:
CHEMBL10438;Orthobenzoic acid, p-cyano-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol;97720-14-4;p-Cyanoorthobenzoic acid cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol;1-(4-Cyanophenyl)-4-tert-butylbicycloorthocarboxylate;p-CN-TBOB;Benzonitrile, 4-(4-(1,1-dimethylethyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)-;SCHEMBL9668749;DTXSID70243184;4-(1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)benzonitrile;BDBM50018801;4-(4-tert-Butyl-2,6,7-trioxa-bicyclo[2.2.2]oct-1-yl)-benzonitrile;4-(4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)benzonitrile

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

Molecular Weight：

273.33 g/mol

Exact Mass：

273.13649347 g/mol

DSSTox ID：

DTXSID70243184

Characteristics

PSA：

51.5 Å²

Computed Properties

Molecular Weight:273.33
XLogP3:2.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:273.13649347
Monoisotopic Mass:273.13649347
Topological Polar Surface Area:51.5
Heavy Atom Count:20
Complexity:398
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Computed Properties

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