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4813-50-7

4813-50-7 structural image
Product Name: n-butylhydroperoxide
Formula: C4H10O2
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COMPUTED DESCRIPTORS

Molecular Weight 90.12 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 90.068079557 g/mol
Monoisotopic Mass 90.068079557 g/mol
Topological Polar Surface Area 29.5 Ų
Heavy Atom Count 6
Formal Charge 0
Complexity 21.5
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