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1217712-92-9

1217712-92-9 structural image
Product Name: DIMETHYL 5,5-DICYANO-4-(4-CYANOPHENYL)-2-HYDROXY-6-(4-METHYLPHENYL)-1-CYCLOHEXENE-1,3-DICARBOXYLATE
Formula: C26H21N3O5
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COMPUTED DESCRIPTORS

Molecular Weight 455.5 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 6
Exact Mass 455.14812078 g/mol
Monoisotopic Mass 455.14812078 g/mol
Topological Polar Surface Area 144 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 973
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