(E,E/E,Z)-tobacco cyclohexenone
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IUPAC Name :4-(2-butenylidene)-3,5,5-trimethylcyclohex-2-en-1-one
InChI :InChI=1/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3
Std.InChI: InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3
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InChIKey :CBQXHTWJSZXYSK-UHFFFAOYAS
Std.InChIKey: CBQXHTWJSZXYSK-UHFFFAOYA-N
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SMILES :CC=CC=C1C(=CC(=O)CC1(C)C)C
Molar Refractivity :61.63 ± 0.3 cm3 (est)
Parachor :477.9 ± 6.0 cm3 (est)
Index of Refraction :1.539 ± 0.02 (est)
Surface Tension :35.0 ± 3.0 dyne/cm (est)
Density :0.968 ± 0.06 g/cm3 (est)
Polarizability :24.43 ± 0.5 10-24cm3 (est)