grapefruit nitrile
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IUPAC Name :2,2-dimethyl-4-phenylpentanenitrile
InChI :InChI=1/C13H17N/c1-11(9-13(2,3)10-14)12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3
Std.InChI: InChI=1S/C13H17N/c1-11(9-13(2,3)10-14)12-7-5-4-6-8-12/h4-8,11H,9H2,1-3H3
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InChIKey :GWCCFAFCQHECBM-UHFFFAOYAL
Std.InChIKey: GWCCFAFCQHECBM-UHFFFAOYSA-N
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SMILES :CC(CC(C)(C)C#N)C1=CC=CC=C1
Molar Refractivity :58.84 ± 0.3 cm3 (est)
Parachor :484.8 ± 4.0 cm3 (est)
Index of Refraction :1.503 ± 0.02 (est)
Surface Tension :35.2 ± 3.0 dyne/cm (est)
Density :0.941 ± 0.06 g/cm3 (est)
Polarizability :23.32 ± 0.5 10-24cm3 (est)