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629-37-8

629-37-8 structural image
Product Name: 1-nitrooctane
Formula: C8H17NO2
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COMPUTED DESCRIPTORS

Molecular Weight 159.23 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 159.125928785 g/mol
Monoisotopic Mass 159.125928785 g/mol
Topological Polar Surface Area 45.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 98.8
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