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86688-88-2

86688-88-2 structural image
Product Name: 2-ACETYL-1-(PHENYLSULFONYL)PYRROLE
Formula: C12H11NO3S
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 36.9 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 249.29 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 249.04596439 g/mol
Monoisotopic Mass 249.04596439 g/mol
Topological Polar Surface Area 64.5 Ų
Heavy Atom Count 17
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