cassis pentanone
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IUPAC Name :4-methyl-4-methylsulfanylpentan-2-one
InChI :InChI=1/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3
Std.InChI: InChI=1S/C7H14OS/c1-6(8)5-7(2,3)9-4/h5H2,1-4H3
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InChIKey :DHANVOSHQILVNQ-UHFFFAOYAP
Std.InChIKey: DHANVOSHQILVNQ-UHFFFAOYSA-N
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SMILES :CC(=O)CC(C)(C)SC
MDL: MFCD00049253
Molar Refractivity :42.47 ± 0.3 cm3 (est)
Parachor :361.4 ± 4.0 cm3 (est)
Index of Refraction :1.459 ± 0.02 (est)
Surface Tension :29.4 ± 3.0 dyne/cm (est)
Density :0.942 ± 0.06 g/cm3 (est)
Polarizability :16.83 ± 0.5 10-24cm3 (est)