plum damascone (high alpha)
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IUPAC Name :(E)-1-(2,4,4-trimethylcyclohex-2-en-1-yl)but-2-en-1-one
InChI :InChI=1/C13H20O/c1-5-6-12(14)11-7-8-13(3,4)9-10(11)2/h5-6,9,11H,7-8H2,1-4H3/b6-5+
Std.InChI: InChI=1S/C13H20O/c1-5-6-12(14)11-7-8-13(3,4)9-10(11)2/h5-6,9,11H,7-8H2,1-4H3/b6-5+
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InChIKey :NELDPSDYTZADSA-AATRIKPKBD
Std.InChIKey: NELDPSDYTZADSA-AATRIKPKSA-N
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SMILES :C/C=C/C(=O)C1CCC(C=C1C)(C)C
Molar Refractivity :59.82 ± 0.3 cm3 (est)
Parachor :492.0 ± 6.0 cm3 (est)
Index of Refraction :1.471 ± 0.02 (est)
Surface Tension :27.9 ± 3.0 dyne/cm (est)
Density :0.898 ± 0.06 g/cm3 (est)
Polarizability :23.71 ± 0.5 10-24cm3 (est)