IUPAC Name :2-hydroxy-1-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxypropane-1,2,3-tricarboxylic acid
InChI :InChI=1/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+
Std.InChI: InChI=1S/C16H16O11/c1-26-10-6-8(2-4-9(10)17)3-5-12(20)27-13(14(21)22)16(25,15(23)24)7-11(18)19/h2-6,13,17,25H,7H2,1H3,(H,18,19)(H,21,22)(H,23,24)/b5-3+
InChIKey :QAEWENIBBUMYIB-HWKANZROBE
Std.InChIKey: QAEWENIBBUMYIB-HWKANZROSA-N
SMILES :COC1=C(C=CC(=C1)/C=C/C(=O)OC(C(=O)O)C(CC(=O)O)(C(=O)O)O)O
Molar Refractivity :86.42 ± 0.3 cm3 (est)
Parachor :719.9 ± 4.0 cm3 (est)
Index of Refraction :1.649 ± 0.02
(est)
Surface Tension :84.9 ± 3.0 dyne/cm (est)
Density :1.620 ± 0.06 g/cm3 (est)
Polarizability :34.26 ± 0.5 10-24cm3 (est)