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339023-21-1

339023-21-1 structural image
Product Name: 3-ACETYL-4-[(4-METHYLPHENYL)SULFONYL]-2,5-DIHYDRO-1H-1LAMBDA6-THIOPHENE-1,1-DIONE
Formula: C13H14O5S2
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COMPUTED DESCRIPTORS

Molecular Weight 314.4 g/mol
XLogP3 0.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 314.02826589 g/mol
Monoisotopic Mass 314.02826589 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 636
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