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166096-57-7

166096-57-7 structural image
Product Name: 1,3-DIOXO-2-PHENETHYL-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
Formula: C17H13NO4
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >44.3 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 295.29 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 295.08445790 g/mol
Monoisotopic Mass 295.08445790 g/mol
Topological Polar Surface Area 74.7 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 469
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