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79168-24-4

79168-24-4 structural image
Product Name: DL-VALINE-3-D1
Formula: C5H10DNO2
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COMPUTED DESCRIPTORS

Molecular Weight 118.15 g/mol
XLogP3 -2.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 118.085255340 g/mol
Monoisotopic Mass 118.085255340 g/mol
Topological Polar Surface Area 63.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 90.4
Isotope Atom Count 1
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