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66989-82-0

66989-82-0 structural image
Product Name: Anisyl isobutyrate
Formula: C12H16O3
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1431

COMPUTED DESCRIPTORS

Molecular Weight 194.23 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 194.094294304 g/mol
Monoisotopic Mass 194.094294304 g/mol
Topological Polar Surface Area 35.5 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 181
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