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1,3-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile

1,3-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile structure

CAS No:
41299-14-3
Formula:
C14H19NO2
Chemical Name:
1,3-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile
Synonyms:
41299-14-3;NSC240468;DTXSID10311210;NSC-240468;1,3-Di-tert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile

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1,3-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile Basic Attributes

Molecular Weight：

233.31 g/mol

Exact Mass：

233.141578849 g/mol

NSC Number：

240468

DSSTox ID：

DTXSID10311210

Characteristics

PSA：

57.9 Å²

Computed Properties

Molecular Weight:233.31
XLogP3:3.2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:233.141578849
Monoisotopic Mass:233.141578849
Topological Polar Surface Area:57.9
Heavy Atom Count:17
Complexity:463
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,3-ditert-butyl-2,5-dioxocyclopent-3-ene-1-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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