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4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile

4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile structure

CAS No:
107829-39-0
Formula:
C18H19NO3
Chemical Name:
4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile
Synonyms:
CHEMBL10450;107829-39-0;4-(1,1-Dimethylethyl)-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo(2.2.2)octane-3-carbonitrile;SCHEMBL9522227;DTXSID60910550;1-tert-butyl-4-(4-ethynylphenyl)-3,5,8-trioxabicyclo[2.2.2]octane-2-carbonitrile;2,6,7-Trioxabicyclo(2.2.2)octane-3-carbonitrile, 4-(1,1-dimethylethyl)-1-(4-ethynylphenyl)-;4-t-butyl-3-cyano-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2,2,2]octane;4-TERT-BUTYL-1-(4-ETHYNYLPHENYL)-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE-3-CARBONITRILE

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4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile Basic Attributes

Molecular Weight：

297.3 g/mol

Exact Mass：

297.13649347 g/mol

Characteristics

PSA：

51.5 Å²

Computed Properties

Molecular Weight:297.3
XLogP3:2.8
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:297.13649347
Monoisotopic Mass:297.13649347
Topological Polar Surface Area:51.5
Heavy Atom Count:22
Complexity:528
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-tert-butyl-1-(4-ethynylphenyl)-2,6,7-trioxabicyclo[2.2.2]octane-3-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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