beta-isomethyl ionone
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IUPAC Name :(E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)but-3-en-2-one
InChI :InChI=1/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+
Std.InChI: InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+
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InChIKey :NSSHGPBKKVJJMM-PKNBQFBNBV
Std.InChIKey: NSSHGPBKKVJJMM-PKNBQFBNSA-N
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SMILES :CC1=C(C(CCC1)(C)C)/C=C(\C)/C(=O)C
MDL: MFCD00086168
Molar Refractivity :66.17 ± 0.3 cm3 (est)
Parachor :526.7 ± 6.0 cm3 (est)
Index of Refraction :1.513 ± 0.02 (est)
Surface Tension :32.8 ± 3.0 dyne/cm (est)
Density :0.937 ± 0.06 g/cm3 (est)
Polarizability :26.23± 0.5 10-24cm3 (est)