39015-77-5

Name CAFFEOYLMALIC ACID
CAS 39015-77-5
Molecular Formula C13H12O8
MDL Number MFCD07779144
Molecular Weight 296.23
MOL File 39015-77-5.mol
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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

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

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