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267880-91-1

267880-91-1 structural image
Product Name: 3,4,5-TRIETHOXYBENZOYLACETONITRILE
Formula: C15H19NO4
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COMPUTED DESCRIPTORS

Molecular Weight 277.31 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 8
Exact Mass 277.13140809 g/mol
Monoisotopic Mass 277.13140809 g/mol
Topological Polar Surface Area 68.6 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 333
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