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6704-83-2

6704-83-2 structural image
Product Name: 3-OXO-5-PHENYL-4-PENTENENITRILE
Formula: C11H9NO
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COMPUTED DESCRIPTORS

Molecular Weight 171.19 g/mol
XLogP3 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 171.068413911 g/mol
Monoisotopic Mass 171.068413911 g/mol
Topological Polar Surface Area 40.9 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 240
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

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