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100548-44-5

100548-44-5 structural image
Product Name: ETHYL ACETOACETATE-4-13C
Formula: C6H10O3
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COMPUTED DESCRIPTORS

Molecular Weight 131.13 g/mol
XLogP3 0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 131.06634901 g/mol
Monoisotopic Mass 131.06634901 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 118
Isotope Atom Count 1
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