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126577-60-4

126577-60-4 structural image
Product Name: (S)-3,4-DIHYDROXYBUTYRONITRILE
Formula: C4H7NO2
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COMPUTED DESCRIPTORS

Molecular Weight 101.10 g/mol
XLogP3 -1.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 101.047678466 g/mol
Monoisotopic Mass 101.047678466 g/mol
Topological Polar Surface Area 64.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 82.9
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