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4-(5,5-dimethyl-3-oxocyclohexen-1-yl)benzonitrile

4-(5,5-dimethyl-3-oxocyclohexen-1-yl)benzonitrile structure

CAS No:
72036-56-7
Formula:
C15H15NO
Chemical Name:
4-(5,5-dimethyl-3-oxocyclohexen-1-yl)benzonitrile
Synonyms:
5,5-Dimethyl-3-(4-cyanophenyl)cyclohex-2-en-1-one;72036-56-7;5,5-Dimethyl-3-(4-cyanophenyl)cyclohex-2-enone;DTXSID90222350;5,5-Dimethyl-3-(4-cyanophenyl)-cyclohex-2-en-1-one

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4-(5,5-dimethyl-3-oxocyclohexen-1-yl)benzonitrile Basic Attributes

Molecular Weight：

225.28 g/mol

Exact Mass：

225.115364102 g/mol

DSSTox ID：

DTXSID90222350

Characteristics

PSA：

40.9 Å²

Computed Properties

Molecular Weight:225.28
XLogP3:2.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:225.115364102
Monoisotopic Mass:225.115364102
Topological Polar Surface Area:40.9
Heavy Atom Count:17
Complexity:388
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(5,5-dimethyl-3-oxocyclohexen-1-yl)benzonitrile

Basic Attributes
Characteristics
Computed Properties

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