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33522-69-9

33522-69-9 structural image
Product Name: 4,6,6-trimethylbicyclo[3.1.1.]hept-3-en-2-yl acetate
Formula: C12H18O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1290 1282 1282

COMPUTED DESCRIPTORS

Molecular Weight 194.27 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 2
Exact Mass 194.130679813 g/mol
Monoisotopic Mass 194.130679813 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 301
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes