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95927-02-9

95927-02-9 structural image
Product Name: 3-METHYLBUTYRIC-2,2-D2 ACID
Formula: C5H8D2O2
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COMPUTED DESCRIPTORS

Molecular Weight 104.14 g/mol
XLogP3 1.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 104.080633049 g/mol
Monoisotopic Mass 104.080633049 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 66.5
Isotope Atom Count 2
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