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900014-98-4

900014-98-4 structural image
Product Name: 4-[(E)-3-(1,3-BENZODIOXOL-4-YL)-2-CYANO-2-PROPENOYL]BENZENECARBONITRILE
Formula: C18H10N2O3
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COMPUTED DESCRIPTORS

Molecular Weight 302.3 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 302.06914219 g/mol
Monoisotopic Mass 302.06914219 g/mol
Topological Polar Surface Area 83.1 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 586
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes