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28457-05-8

28457-05-8 structural image
Product Name: iso-amylanthranilate
Formula: C12H17NO2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1664.9 1656

COMPUTED DESCRIPTORS

Molecular Weight 207.27 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 5
Exact Mass 207.125928785 g/mol
Monoisotopic Mass 207.125928785 g/mol
Topological Polar Surface Area 52.3 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 204
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