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149775-71-3

149775-71-3 structural image
Product Name: O(1),O(3)-BIS(ETHOXYCARBONYLMETHYL)-O(2),O(4)-DIMETHYL-P-TERT-BUTYLCALIX[4]ARENE
Formula: C54H72O8
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COMPUTED DESCRIPTORS

Molecular Weight 849.1 g/mol
XLogP3 14.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 16
Exact Mass 848.52271925 g/mol
Monoisotopic Mass 848.52271925 g/mol
Topological Polar Surface Area 89.5 Ų
Heavy Atom Count 62
Formal Charge 0
Complexity 1260
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