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135269-36-2

135269-36-2 structural image
Product Name: 4-TERT-BUTYL-CALIX[4]ARENE TETRA-N-PROPYL ETHER
Formula: C56H80O4
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COMPUTED DESCRIPTORS

Molecular Weight 817.2 g/mol
XLogP3 17.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 16
Exact Mass 816.60566103 g/mol
Monoisotopic Mass 816.60566103 g/mol
Topological Polar Surface Area 36.9 Ų
Heavy Atom Count 60
Formal Charge 0
Complexity 1010
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