ionone mixed isomers
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IUPAC Name :4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
InChI :InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
Std.InChI: InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
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InChIKey :PSQYTAPXSHCGMF-UHFFFAOYAL
Std.InChIKey: PSQYTAPXSHCGMF-UHFFFAOYSA-N
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SMILES :CC1=C(C(CCC1)(C)C)C=CC(=O)C
Molar Refractivity :61.70 ± 0.3 cm3 (est)
Parachor :490.3 ± 6.0 cm3 (est)
Index of Refraction :1.517 ± 0.02 (est)
Surface Tension :33.6 ± 3.0 dyne/cm (est)
Density :0.944 ± 0.06 g/cm3 (est)
Polarizability :24.46 ± 0.5 10-24cm3 (est)