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339098-80-5

339098-80-5 structural image
Product Name: 3-[(PHENYLSULFONYL)METHYL]-2,4-PENTANEDIONE
Formula: C12H14O4S
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COMPUTED DESCRIPTORS

Molecular Weight 254.30 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 5
Exact Mass 254.06128010 g/mol
Monoisotopic Mass 254.06128010 g/mol
Topological Polar Surface Area 76.7 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 371
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