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92003-62-8

92003-62-8 structural image
Product Name: 4-TERT-BUTYLCALIX(6)ARENE-HEXAACETIC ACID HEXAETHYL ESTER
Formula: C90H120O18
Synonyms: 4-tert-Butylcalix[6]arene-hexaacetic acid hexaethyl ester
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COMPUTED DESCRIPTORS

Molecular Weight 1489.9 g/mol
XLogP3 23.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 18
Rotatable Bond Count 36
Exact Mass 1488.84746697 g/mol
Monoisotopic Mass 1488.84746697 g/mol
Topological Polar Surface Area 213 Ų
Heavy Atom Count 108
Formal Charge 0
Complexity 2240
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