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67859-96-5

67859-96-5 structural image
Product Name: ACETIC ACID CIS-3,3,5-TRIMETHYLCYCLOHEXYL ESTER
Formula: C11H20O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Solubility Practically insoluble or insoluble in water
Density 0.913-0.924 (20°)
Refractive Index 1.437-1.445
Kovats Retention Index 1196

COMPUTED DESCRIPTORS

Molecular Weight 184.27 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 184.146329876 g/mol
Monoisotopic Mass 184.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 196
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes