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339097-03-9

339097-03-9 structural image
Product Name: METHYL 3-([4-(DIMETHYLAMINO)-1-METHYL-2-OXO-3-BUTENYL]OXY)-2-THIOPHENECARBOXYLATE
Formula: C13H17NO4S
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COMPUTED DESCRIPTORS

Molecular Weight 283.35 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 283.08782920 g/mol
Monoisotopic Mass 283.08782920 g/mol
Topological Polar Surface Area 84.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 357
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes