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6028-92-8

6028-92-8 structural image
Product Name: 1-(4-NITROPHENYL)-3-(2-THIENYL)-PROP-2-EN-1-ONE
Formula: C13H9NO3S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 1.9 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 259.28 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 259.03031432 g/mol
Monoisotopic Mass 259.03031432 g/mol
Topological Polar Surface Area 91.1 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 343
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes