IUPAC Name :1-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-2-hydroxypropane-1,2,3-tricarboxylic acid
InChI :InChI=1/C15H14O11/c16-8-3-1-7(5-9(8)17)2-4-11(20)26-12(13(21)22)15(25,14(23)24)6-10(18)19/h1-5,12,16-17,25H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+
Std.InChI: InChI=1S/C15H14O11/c16-8-3-1-7(5-9(8)17)2-4-11(20)26-12(13(21)22)15(25,14(23)24)6-10(18)19/h1-5,12,16-17,25H,6H2,(H,18,19)(H,21,22)(H,23,24)/b4-2+
InChIKey :OUWOVSUGDPWIBY-DUXPYHPUBR
Std.InChIKey: OUWOVSUGDPWIBY-DUXPYHPUSA-N
SMILES :C1=CC(=C(C=C1/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O)O)O
Molar Refractivity :81.63 ± 0.3 cm3 (est)
Parachor :678.2 ± 4.0 cm3 (est)
Index of Refraction :1.698 ± 0.02
(est)
Surface Tension :105.5 ± 3.0 dyne/cm (est)
Density :1.749 ± 0.06 g/cm3 (est)
Polarizability :32.36 ± 0.5 10-24cm3 (est)