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Homecas56986-37-9

56986-37-9

56986-37-9 structural image
Product Name: SEC-BUTYL-ACETOXYMETHYL-NITROSAMINE
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COMPUTED DESCRIPTORS

Molecular Weight 174.20 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 174.10044231 g/mol
Monoisotopic Mass 174.10044231 g/mol
Topological Polar Surface Area 59 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 161
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