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51673-64-4

51673-64-4 structural image
Product Name: methyl 3-oxoisobutyrate
Formula: C5H8O3
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COMPUTED DESCRIPTORS

Molecular Weight 116.11 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 116.047344113 g/mol
Monoisotopic Mass 116.047344113 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 97.8
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