cis-3-tert-butyl cyclohexyl acetate
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IUPAC Name :(1S,3R)-3-tert-butylcyclohexyl acetate
InChI :InChI=1/C12H22O2/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11-/m0/s1
Std.InChI: InChI=1S/C12H22O2/c1-9(13)14-11-7-5-6-10(8-11)12(2,3)4/h10-11H,5-8H2,1-4H3/t10-,11+/m1/s1
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InChIKey :NHUNEDUXIBOQML-MNOVXSKEBO
Std.InChIKey: NHUNEDUXIBOQML-MNOVXSKESA-N
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SMILES :O=C(C)O[C@@H]1C[C@H](CCC1)C(C)(C)C
Molar Refractivity :57.38 ± 0.4 cm3 (est)
Parachor :498.8 ± 6.0 cm3 (est)
Index of Refraction :1.450 ± 0.03 (est)
Surface Tension :30.0 ± 5.0 dyne/cm (est)
Density :0.93 ± 0.1 g/cm3 (est)
Polarizability :22.74 ± 0.5 10-24cm3 (est)