3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid

CAS	537-15-5
Structure
Synonyms	(R)-2-(3,4-Dihydroxycinnamoyloxy)-3-(3,4-dihydroxyphenyl)lactic acid
IUPAC Name	3-(3,4-Dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
Molecular Weight	360.3
Canonical SMILES	C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
InChI	InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+
InChI Key	DOUMFZQKYFQNTF-ZZXKWVIFSA-N
Boiling Point	694.7±55.0 °C
Melting Point	171-175 °C
Purity	90%+
Density	1.547±0.06 g/cm³ at 25 °C(lit.)
Solubility	Soluble in ethanol, DMSO and dimethyl formamide
Exact Mass	360.08451746
Isomeric SMILES	C1=CC(=C(C=C1CC(C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
Monoisotopic Mass	360.08451746
Physical State	Crystalline solid
Topological Polar Surface Area	145 Ų