alpha-kessyl acetate
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InChI :InChI=1/C17H28O3/c1-10-6-7-13-12(10)8-14-15(19-11(2)18)9-17(13,5)20-16(14,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12?,13?,14+,15+,17-/m1/s1
Std.InChI: InChI=1S/C17H28O3/c1-10-6-7-13-12(10)8-14-15(19-11(2)18)9-17(13,5)20-16(14,3)4/h10,12-15H,6-9H2,1-5H3/t10-,12?,13?,14+,15+,17-/m1/s1
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InChIKey :CGBOQYJQRLRGIE-OTVBDAHVBR
Std.InChIKey: CGBOQYJQRLRGIE-OTVBDAHVSA-N
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SMILES :C[C@@H]1CCC2C1C[C@H]3[C@H](C[C@]2(OC3(C)C)C)OC(=O)C
Molar Refractivity :78.13 ± 0.4 cm3 (est)
Parachor :650.7 ± 6.0 cm3 (est)
Index of Refraction :1.500 ± 0.03 (est)
Surface Tension :36.0 ± 5.0 dyne/cm (est)
Density :1.05 ± 0.1 g/cm3 (est)
Polarizability :30.97 ± 0.5 10-24cm3 (est)