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36789-59-0

36789-59-0 structural image
Product Name: (S)-2,2,3-trimethylcyclopent-3-ene-1-ethyl acetate
Formula: C12H20O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear liquid; sweet woody odour with ionone nuance
Solubility Insoluble in water and fat
Density 0.943-0.949
Refractive Index 1.453-1.460

COMPUTED DESCRIPTORS

Molecular Weight 196.29 g/mol
XLogP3 2.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 4
Exact Mass 196.146329876 g/mol
Monoisotopic Mass 196.146329876 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 251
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

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