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5397-43-3

5397-43-3 structural image
Product Name: 2H-PYRAN-2-CARBONITRILE, TETRAHYDRO-
Formula: C6H9NO
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COMPUTED DESCRIPTORS

Molecular Weight 111.14 g/mol
XLogP3 0.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 111.068413911 g/mol
Monoisotopic Mass 111.068413911 g/mol
Topological Polar Surface Area 33 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 113
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes