IUPAC Name :(2S)-3-(3,4-dihydroxyphenyl)-2-[[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoic acid
InChI :InChI=1/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3-/t12-/m0/s1
Std.InChI: InChI=1S/C18H17NO7/c20-13-4-1-10(8-15(13)22)3-6-17(24)19-12(18(25)26)7-11-2-5-14(21)16(23)9-11/h1-6,8-9,12,20-23H,7H2,(H,19,24)(H,25,26)/b6-3-/t12-/m0/s1
InChIKey :GPZFXSWMDFBRGS-RYBZSIHZBZ
Std.InChIKey: GPZFXSWMDFBRGS-RYBZSIHZSA-N
SMILES :C1=CC(=C(C=C1C[C@@H](C(=O)O)NC(=O)/C=C\C2=CC(=C(C=C2)O)O)O)O
Molar Refractivity :89.42 ± 0.5 cm3 (est)
Parachor :699.1 ± 8.0 cm3 (est)
Index of Refraction :1.631 ± 0.05
(est)
Surface Tension :60.2 ± 7.0 dyne/cm (est)
Density :1.43 ± 0.1 g/cm3 (est)
Polarizability :35.44 ± 0.5 10-24cm3 (est)