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884504-22-7

884504-22-7 structural image
Product Name: 4-ISOPROPOXYBENZOYLACETONITRILE
Formula: C12H13NO2
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COMPUTED DESCRIPTORS

Molecular Weight 203.24 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 203.094628657 g/mol
Monoisotopic Mass 203.094628657 g/mol
Topological Polar Surface Area 50.1 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 256
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