"1.22" . "6.89" . "717.009993395" . "ALOGPS" . "4" . "0" . "1" . "ChemAxon" . "2.66" . "CC1=CC=C(C=C1)C(=O)N1CCC(CC2=CC=CC=C2)CC1" . "9.31" . "redux" . "5.37e-02 g/l" . "CCCC1=C(C)C(C(O)=O)=C(CCC(O)=O)O1" . "[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C" . "InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3" . "72.36" . "502.99" .