Caffeoylmalic acid

Chemical Properties

Boiling point	557.1±50.0 °C(Predicted)
Density	1.589±0.06 g/cm3(Predicted)
storage temp.	-20°C
pka	2.60±0.23(Predicted)
InChI	1S/C15H16O8/c1-21-10-5-3-9(7-11(10)22-2)4-6-14(18)23-12(15(19)20)8-13(16)17/h3-7,12H,8H2,1-2H3,(H,16,17)(H,19,20)/b6-4+
InChIKey	FZQDBBBREHNBJN-GQCTYLIASA-N
SMILES	O(C)c1c(ccc(c1)\C=C\C(=O)OC(CC(=O)O)C(=O)O)OC

WGK Germany	WGK 3
Storage Class	11 - Combustible Solids

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