di(tert-butyl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
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di(tert-butyl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
structure -
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CAS No:
347363-27-3
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Formula:
C23H31FO6
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Chemical Name:
di(tert-butyl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
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Synonyms:
di(tert-butyl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate;Oprea1_858537;STK762448;AKOS001735684;MCULE-9781842349;EU-0052405;AQ-149/13360472;SR-01000528825;SR-01000528825-1;di-tert-butyl 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
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CAS No:
di(tert-butyl) 2-(3-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate Basic Attributes
422.4870432
422.21
Computed Properties
Molecular Weight:422.5
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:422.21046687
Monoisotopic Mass:422.21046687
Topological Polar Surface Area:89.9
Heavy Atom Count:30
Complexity:676
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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