isokobusone
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IUPAC Name :(1R,5S,9S)-5-hydroxy-11,11-dimethyl-4-methylidenebicyclo[7.2.0]undecan-8-one
InChI :InChI=1/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3/t10-,11+,12-/m0/s1
Std.InChI: InChI=1S/C14H22O2/c1-9-4-5-11-10(8-14(11,2)3)13(16)7-6-12(9)15/h10-12,15H,1,4-8H2,2-3H3/t10-,11+,12-/m0/s1
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InChIKey :BSFUDCIRZBAPDS-TUAOUCFPBT
Std.InChIKey: BSFUDCIRZBAPDS-TUAOUCFPSA-N
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SMILES :CC1(C[C@H]2[C@H]1CCC(=C)[C@H](CCC2=O)O)C
Molar Refractivity :63.91 ± 0.4 cm3 (est)
Parachor :529.5 ± 6.0 cm3 (est)
Index of Refraction :1.508 ± 0.03 (est)
Surface Tension :37.4 ± 5.0 dyne/cm (est)
Density :1.03 ± 0.1 g/cm3 (est)
Polarizability :25.33 ± 0.5 10-24cm3 (est)