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5457-63-6

5457-63-6 structural image
Product Name: Octanoic acid,2-methylphenyl ester
Formula: C15H22O2
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COMPUTED DESCRIPTORS

Molecular Weight 234.33 g/mol
XLogP3 4.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 8
Exact Mass 234.161979940 g/mol
Monoisotopic Mass 234.161979940 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 213
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