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79371-37-2

79371-37-2 structural image
Product Name: Octane, 1,8-diisocyanato-4-(isocyanatomethyl)-
Formula: C12H17N3O3
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COMPUTED DESCRIPTORS

Molecular Weight 251.28 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 11
Exact Mass 251.12699141 g/mol
Monoisotopic Mass 251.12699141 g/mol
Topological Polar Surface Area 88.3 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 352
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