IUPAC Name :(5aS,9S,9aS)-1-oxo-6-propan-2-ylspiro[3,5a,6,7,8,9a-hexahydro-2-benzoxepine-9,2'-oxirane]-4-carboxylic acid
InChI :InChI=1/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10?,11-,12-,15-/m1/s1
Std.InChI: InChI=1S/C15H20O5/c1-8(2)10-3-4-15(7-20-15)12-11(10)5-9(13(16)17)6-19-14(12)18/h5,8,10-12H,3-4,6-7H2,1-2H3,(H,16,17)/t10?,11-,12-,15-/m1/s1
InChIKey :JESMSCGUTIEROV-NOFREYILBQ
Std.InChIKey: JESMSCGUTIEROV-NOFREYILSA-N
SMILES :O=C(O)/C1=C/[C@H]3[C@H](C(=O)OC1)[C@@]2(OC2)CCC3C(C)C
Molar Refractivity :70.22 ± 0.4 cm3 (est)
Parachor :582.4 ± 6.0 cm3 (est)
Index of Refraction :1.552 ± 0.03
(est)
Surface Tension :49.5 ± 5.0 dyne/cm (est)
Density :1.27 ± 0.1 g/cm3 (est)
Polarizability :27.83 ± 0.5 10-24cm3 (est)