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99116-15-1

99116-15-1 structural image
Product Name: METHOXYCARBONYLETHYL-ETHYLSULFONE
Formula: C6H12O4S
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COMPUTED DESCRIPTORS

Molecular Weight 180.22 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 180.04563003 g/mol
Monoisotopic Mass 180.04563003 g/mol
Topological Polar Surface Area 68.8 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 211
Isotope Atom Count 0
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