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62018-92-2

62018-92-2 structural image
Product Name: N-BUTYL-N-(2-CARBOXYETHYL)NITROSAMINE
Formula: C7H14N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 174.20 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 174.10044231 g/mol
Monoisotopic Mass 174.10044231 g/mol
Topological Polar Surface Area 70 Ų
Heavy Atom Count 12
Formal Charge 0
Complexity 150
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