[3-(dicyanomethylidene)-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl] 4-phenylbenzoate
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[3-(dicyanomethylidene)-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl] 4-phenylbenzoate
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CAS No:
667431-31-4
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Formula:
C30H21N3O3
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Chemical Name:
[3-(dicyanomethylidene)-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl] 4-phenylbenzoate
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Synonyms:
1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl biphenyl-4-carboxylate;ZINC2422257;STK134293;AKOS002227874;MCULE-6569837570;ST50106689;1-(dicyanomethylidene)-4,4,6-trimethyl-2-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-8-yl 4-biphenylcarboxylate;667431-31-4
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CAS No:
[3-(dicyanomethylidene)-9,11,11-trimethyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-6-yl] 4-phenylbenzoate Basic Attributes
471.5 g/mol
471.15829154 g/mol
Computed Properties
Molecular Weight:471.5
XLogP3:4.8
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:471.15829154
Monoisotopic Mass:471.15829154
Topological Polar Surface Area:94.2
Heavy Atom Count:36
Complexity:1070
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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