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36701-88-9

36701-88-9 structural image
Product Name: METHYL 2-PHENOXYNICOTINATE
Formula: C13H11NO3
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility 26.5 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 229.23 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 4
Exact Mass 229.07389321 g/mol
Monoisotopic Mass 229.07389321 g/mol
Topological Polar Surface Area 48.4 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 251
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