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62018-91-1

62018-91-1 structural image
Product Name: N-BUTYL-N-(2,4-DIHYDROXYBUTYL)NITROSAMINE
Formula: C8H18N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 190.24 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 7
Exact Mass 190.13174244 g/mol
Monoisotopic Mass 190.13174244 g/mol
Topological Polar Surface Area 73.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 133
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes