citronitrile (Symrise)
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IUPAC Name :3-methyl-5-phenylpent-2-enenitrile
InChI :InChI=1/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3
Std.InChI: InChI=1S/C12H13N/c1-11(9-10-13)7-8-12-5-3-2-4-6-12/h2-6,9H,7-8H2,1H3
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InChIKey :QELCXXZZKSRBET-UHFFFAOYAZ
Std.InChIKey: QELCXXZZKSRBET-UHFFFAOYSA-N
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SMILES :N#CC=C(CCc1ccccc1)C
MDL: MFCD00011718
Molar Refractivity :54.14 ± 0.3 cm3 (est)
Parachor :434.6 ± 4.0 cm3 (est)
Index of Refraction :1.530 ± 0.02 (est)
Surface Tension :38.0 ± 3.0 dyne/cm (est)
Density :0.978 ± 0.06 g/cm3 (est)
Polarizability :21.46 ± 0.5 10-24cm3 (est)