alpha-thujone
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IUPAC Name :(1S,4R,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
InChI :InChI=1/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
Std.InChI: InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8-,10+/m1/s1
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InChIKey :USMNOWBWPHYOEA-MRTMQBJTBZ
Std.InChIKey: USMNOWBWPHYOEA-MRTMQBJTSA-N
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SMILES :C[C@@H]1[C@H]2C[C@]2(CC1=O)C(C)C
MDL: MFCD00135597
Molar Refractivity :44.32 ± 0.3 cm3 (est)
Parachor :366.8 ± 6.0 cm3 (est)
Index of Refraction :1.499 ± 0.02 (est)
Surface Tension :34.9 ± 3.0 dyne/cm (est)
Density :1.009 ± 0.06 g/cm3 (est)
Polarizability :17.57 ± 0.5 10-24cm3 (est)