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66416-49-7

66416-49-7 structural image
Product Name: 2-Methyl-6-phenylnicotinic acid
Formula: C13H11NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >32 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 213.23 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
Exact Mass 213.078978594 g/mol
Monoisotopic Mass 213.078978594 g/mol
Topological Polar Surface Area 50.2 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 248
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