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28574-90-5

28574-90-5 structural image
Product Name: hexamethylene diisocyanate trimer
Formula: C8H12N2O2
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COMPUTED DESCRIPTORS

Molecular Weight 504.6 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 12
Rotatable Bond Count 21
Exact Mass 504.26963289 g/mol
Monoisotopic Mass 504.26963289 g/mol
Topological Polar Surface Area 177 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 169
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 3
Compound Is Canonicalized Yes