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61734-90-5

61734-90-5 structural image
Product Name: N-BUTYL-N-(3-OXOBUTYL)NITROSAMINE
Formula: C8H16N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 172.22 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 6
Exact Mass 172.121177757 g/mol
Monoisotopic Mass 172.121177757 g/mol
Topological Polar Surface Area 49.7 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 148
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