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612842-05-4

612842-05-4 structural image
Product Name: Octanoic acid, 8-bromo-, heptyl ester
Formula: C15H29BrO2
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COMPUTED DESCRIPTORS

Molecular Weight 321.29 g/mol
XLogP3 5.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 14
Exact Mass 320.13509 g/mol
Monoisotopic Mass 320.13509 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 183
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