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53921-74-7

53921-74-7 structural image
Product Name: (2-ACETYL-1,2,3,4-TETRAHYDROISOQUINOLIN-1-YL)ACETIC ACID
Formula: C13H15NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 32.7 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 233.26 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 233.10519334 g/mol
Monoisotopic Mass 233.10519334 g/mol
Topological Polar Surface Area 57.6 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 316
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes