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104789-79-9

104789-79-9 structural image
Product Name: P-ISOPROPYLCALIX[6]ARENE
Formula: C60H72O6
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COMPUTED DESCRIPTORS

Molecular Weight 889.2 g/mol
XLogP3 16.2
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 888.53289001 g/mol
Monoisotopic Mass 888.53289001 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 66
Formal Charge 0
Complexity 1120
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes