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1219804-04-2

1219804-04-2 structural image
Product Name: 2,2-DIMETHYLBUTYRIC-D11 ACID
Formula: C6HD11O2
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COMPUTED DESCRIPTORS

Molecular Weight 127.23 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 127.152773827 g/mol
Monoisotopic Mass 127.152773827 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 94.7
Isotope Atom Count 11
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