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117-47-5

117-47-5 structural image
Product Name: DIETHYL (1-METHYLBUTYL)MALONATE
Formula: C12H22O4
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COMPUTED DESCRIPTORS

Molecular Weight 230.30 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 9
Exact Mass 230.15180918 g/mol
Monoisotopic Mass 230.15180918 g/mol
Topological Polar Surface Area 52.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 207
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