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50606-35-4

50606-35-4 structural image
Product Name: 3,4,5-TRIMETHOXYBENZOYLACETONITRILE
Formula: C12H13NO4
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COMPUTED DESCRIPTORS

Molecular Weight 235.24 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 235.08445790 g/mol
Monoisotopic Mass 235.08445790 g/mol
Topological Polar Surface Area 68.6 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 295
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