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113215-72-8

113215-72-8 structural image
Product Name: 4-tert-butylcalix[4]arene tetraacetic acid
Formula: C52H64O12
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COMPUTED DESCRIPTORS

Molecular Weight 881.1 g/mol
XLogP3 12.6
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 16
Exact Mass 880.43977747 g/mol
Monoisotopic Mass 880.43977747 g/mol
Topological Polar Surface Area 186 Ų
Heavy Atom Count 64
Formal Charge 0
Complexity 1300
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