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1212217-00-9

1212217-00-9 structural image
Product Name: DIMETHYL 5,5-DICYANO-2-HYDROXY-6-(4-METHYLPHENYL)-4-[3-(TRIFLUOROMETHYL)PHENYL]-1-CYCLOHEXENE-1,3-DICARBOXYLATE
Formula: C26H21F3N2O5
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COMPUTED DESCRIPTORS

Molecular Weight 498.4 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 6
Exact Mass 498.14025626 g/mol
Monoisotopic Mass 498.14025626 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 980
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes