grandiflorone

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IUPAC Name :5-hydroxy-2,2,6,6-tetramethyl-4-(3-phenylpropanoyl)cyclohex-4-ene-1,3-dione
InChI :InChI=1/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,21H,10-11H2,1-4H3
Std.InChI: InChI=1S/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,21H,10-11H2,1-4H3
InChIKey :KUWGTESSHWPSOB-UHFFFAOYAR
Std.InChIKey: KUWGTESSHWPSOB-UHFFFAOYSA-N
SMILES :CC1(C(=C(C(=O)C(C1=O)(C)C)C(=O)CCC2=CC=CC=C2)O)C
Molar Refractivity :86.08 ± 0.3 cm3 (est)
Parachor :700.2 ± 6.0 cm3 (est)
Index of Refraction :1.548 ± 0.02 (est)
Surface Tension :44.5 ± 3.0 dyne/cm (est)
Density :1.160 ± 0.06 g/cm3 (est)
Polarizability :34.12 ± 0.5 10-24cm3 (est)