petitgrain heptane
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IUPAC Name :6-ethylidenebicyclo[2.2.1]hept-2-yl propan-2-yl ether
InChI :InChI=1/C12H20O/c1-4-10-5-9-6-11(10)12(7-9)13-8(2)3/h4,8-9,11-12H,5-7H2,1-3H3/b10-4+
Std.InChI: InChI=1S/C12H20O/c1-4-10-5-9-6-11(10)12(7-9)13-8(2)3/h4,8-9,11-12H,5-7H2,1-3H3/b10-4+
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InChIKey :DFAHIMHECXLSIS-ONNFQVAWBM
Std.InChIKey: DFAHIMHECXLSIS-ONNFQVAWSA-N
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SMILES :CC(C)OC2CC1CC(C2C1)=[C@H]C
Molar Refractivity :54.85 ± 0.4 cm3 (est)
Parachor :447.6 ± 6.0 cm3 (est)
Index of Refraction :1.485 ± 0.03 (est)
Surface Tension :30.0 ± 5.0 dyne/cm (est)
Density :0.94 ± 0.1 g/cm3 (est)
Polarizability :21.74 ± 0.5 10-24cm3 (est)