Cichoric acid

Catalog	BBC70831560
CAS	70831-56-0
Structure
Synonyms	(2R,3R)-2,3-Bis{[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy}butanedioic acid
IUPAC Name	(2R,3R)-2,3-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]butanedioic acid
Molecular Weight	474.37
Molecular Formula	C22H18O12
Canonical SMILES	C1=CC(=C(C=C1/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O)O
InChI	InChI=1S/C22H18O12/c23-13-5-1-11(9-15(13)25)3-7-17(27)33-19(21(29)30)20(22(31)32)34-18(28)8-4-12-2-6-14(24)16(26)10-12/h1-10,19-20,23-26H,(H,29,30)(H,31,32)/b7-3+,8-4+/t19-,20-/m1/s1
InChI Key	YDDGKXBLOXEEMN-IABMMNSOSA-N
Melting Point	206 °C (lit.)
Purity	98%
Density	1.641±0.06 g/ml
pKa	1.42±0.25
Solubility in Water	Soluble