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136157-98-7

136157-98-7 structural image
Product Name: O(1),O(3)-BIS(CARBOXYMETHYL)-O(2),O(4)-DIMETHYL-P-T-BUTYLCALIX(4)ARENE
Formula: C50H64O8
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COMPUTED DESCRIPTORS

Molecular Weight 793.0 g/mol
XLogP3 13.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 12
Exact Mass 792.46011900 g/mol
Monoisotopic Mass 792.46011900 g/mol
Topological Polar Surface Area 112 Ų
Heavy Atom Count 58
Formal Charge 0
Complexity 1190
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