IUPAC Name :(2E,4E,8E)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
InChI :InChI=1/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2+,10-6+,11-7+
Std.InChI: InChI=1S/C21H25NO3/c23-21(22-14-8-5-9-15-22)11-7-4-2-1-3-6-10-18-12-13-19-20(16-18)25-17-24-19/h2,4,6-7,10-13,16H,1,3,5,8-9,14-15,17H2/b4-2+,10-6+,11-7+
InChIKey :KAYVDASZRFLFRZ-PQECNABGBW
Std.InChIKey: KAYVDASZRFLFRZ-PQECNABGSA-N
SMILES :C1CCN(CC1)C(=O)/C=C/C=C/CC/C=C/C2=CC3=C(C=C2)OCO3
Molar Refractivity :100.73 ± 0.3 cm3 (est)
Parachor :777.1 ± 6.0 cm3 (est)
Index of Refraction :1.598 ± 0.02
(est)
Surface Tension :48.1 ± 3.0 dyne/cm (est)
Density :1.150 ± 0.06 g/cm3 (est)
Polarizability :39.93 ± 0.5 10-24cm3 (est)