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52894-25-4

52894-25-4 structural image
Product Name: 1,2,7,8-OCTANETETROL
Formula: C8H18O4
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COMPUTED DESCRIPTORS

Molecular Weight 178.23 g/mol
XLogP3 -0.9
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 7
Exact Mass 178.12050905 g/mol
Monoisotopic Mass 178.12050905 g/mol
Topological Polar Surface Area 80.9 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 85.1
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes