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66417-78-5

66417-78-5 structural image
Product Name: 3-QUINOLIN-3-YL-ACRYLIC ACID METHYL ESTER
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 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 213.078978594 g/mol
Monoisotopic Mass 213.078978594 g/mol
Topological Polar Surface Area 39.2 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 275
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes