IUPAC Name :(2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]butanedioic acid
InChI :InChI=1/C13H13NO7/c15-9-3-1-7(5-10(9)16)2-4-11(17)14-8(13(20)21)6-12(18)19/h1-5,8,15-16H,6H2,(H,14,17)(H,18,19)(H,20,21)/b4-2+/t8-/m0/s1
Std.InChI: InChI=1S/C13H13NO7/c15-9-3-1-7(5-10(9)16)2-4-11(17)14-8(13(20)21)6-12(18)19/h1-5,8,15-16H,6H2,(H,14,17)(H,18,19)(H,20,21)/b4-2+/t8-/m0/s1
InChIKey :YNHFZQQNJPOYRC-KHVHVRLGBW
Std.InChIKey: YNHFZQQNJPOYRC-KHVHVRLGSA-N
SMILES :C1=CC(=C(C=C1/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)O)O
Molar Refractivity :68.92 ± 0.5 cm3 (est)
Parachor :560.9 ± 8.0 cm3 (est)
Index of Refraction :1.608 ± 0.05
(est)
Surface Tension :62.9 ± 7.0 dyne/cm (est)
Density :1.48 ± 0.1 g/cm3 (est)
Polarizability :27.32 ± 0.5 10-24cm3 (est)