isocolumbin

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InChI :InChI=1/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13-,14+,15+,18-,19-,20-/m1/s1
Std.InChI: InChI=1S/C20H22O6/c1-18-9-14(11-5-8-24-10-11)25-16(21)12(18)3-6-19(2)15(18)13-4-7-20(19,23)17(22)26-13/h4-5,7-8,10,12-15,23H,3,6,9H2,1-2H3/t12-,13-,14+,15+,18-,19-,20-/m1/s1
InChIKey :AALLCALQGXXWNA-SROPKWAUBM
Std.InChIKey: AALLCALQGXXWNA-SROPKWAUSA-N
SMILES :C[C@@]12CC[C@@H]3C(=O)O[C@@H](C[C@]3([C@@H]1[C@H]4C=C[C@]2(C(=O)O4)O)C)C5=COC=C5
Molar Refractivity :89.24 ± 0.3 cm3 (est)
Parachor :718.3 ± 6.0 cm3 (est)
Index of Refraction :1.592 ± 0.02 (est)
Surface Tension :55.2 ± 3.0 dyne/cm (est)
Density :1.360 ± 0.06 g/cm3 (est)
Polarizability :35.38 ± 0.5 10-24cm3 (est)