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179114-94-4

179114-94-4 structural image
Product Name: dimethyl 2-isocyanatoterephthalate
Formula: C11H9NO5
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COMPUTED DESCRIPTORS

Molecular Weight 235.19 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 235.04807239 g/mol
Monoisotopic Mass 235.04807239 g/mol
Topological Polar Surface Area 82 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 348
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