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70367-36-1

70367-36-1 structural image
Product Name: Heptanenitrile, 3-hydroxy-6-oxo- (9CI)
Formula: C7H11NO2
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COMPUTED DESCRIPTORS

Molecular Weight 141.17 g/mol
XLogP3 -0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 141.078978594 g/mol
Monoisotopic Mass 141.078978594 g/mol
Topological Polar Surface Area 61.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 156
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