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138452-84-3

138452-84-3 structural image
Product Name: P-TERT-OCTYLCALIX[5!ARENE
Formula: C75H110O5
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COMPUTED DESCRIPTORS

Molecular Weight 1007.5 g/mol
XLogP3 21.8
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 10
Exact Mass 1006.74142622 g/mol
Monoisotopic Mass 1006.74142622 g/mol
Topological Polar Surface Area 101 Ų
Heavy Atom Count 74
Formal Charge 0
Complexity 1850
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