 Home > Encyclopedia > 4-(1,3-BENZODIOXOL-5-YL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE

4-(1,3-BENZODIOXOL-5-YL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE

4-(1,3-BENZODIOXOL-5-YL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE structure

CAS No:
333779-45-6
Formula:
C20H20N2O3
Chemical Name:
4-(1,3-BENZODIOXOL-5-YL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
Synonyms:
4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile;333779-45-6;4-(2H-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile;4-(1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile;Oprea1_030424;Oprea1_449936;KS-00001RCH;STK373566;AKOS000637677;MCULE-8336978678

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4-(1,3-BENZODIOXOL-5-YL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE Basic Attributes

Molecular Weight：

336.38

Exact Mass：

336.147

Characteristics

PSA：

71.4

XLogP3：

2.9

Computed Properties

Molecular Weight:336.4
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:336.14739250
Monoisotopic Mass:336.14739250
Topological Polar Surface Area:71.4
Heavy Atom Count:25
Complexity:725
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-(1,3-BENZODIOXOL-5-YL)-2,7,7-TRIMETHYL-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE

Basic Attributes
Characteristics
Computed Properties

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