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72955-89-6

72955-89-6 structural image
Product Name: (1,3-BENZODIOXOL-5-YLOXY)ACETONITRILE
Formula: C9H7NO3
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COMPUTED DESCRIPTORS

Molecular Weight 177.16 g/mol
XLogP3 1.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 2
Exact Mass 177.042593085 g/mol
Monoisotopic Mass 177.042593085 g/mol
Topological Polar Surface Area 51.5 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 222
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

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