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45185-76-0

45185-76-0 structural image
Product Name: METHYL 4-(1,1-DIOXOTHIOMORPHOLINO)BENZOATE
Formula: C12H15NO4S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >40.4 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 269.32 g/mol
XLogP3 1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 269.07217913 g/mol
Monoisotopic Mass 269.07217913 g/mol
Topological Polar Surface Area 72.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 379
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