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LIMOCITRIN Structure

LIMOCITRIN

Chemical Properties

Melting point 271-275 °C
Boiling point 621.2±55.0 °C(Predicted)
Density  1.591±0.06 g/cm3(Predicted)
pka 6.63±0.40(Predicted)
InChI 1S/C17H14O8/c1-23-11-5-7(3-4-8(11)18)15-14(22)13(21)12-9(19)6-10(20)16(24-2)17(12)25-15/h3-6,18-20,22H,1-2H3
InChIKey IBXCKSUZOFKGSB-UHFFFAOYSA-N
SMILES OC1=CC(O)=C(C(C(O)=C(C2=CC=C(O)C(OC)=C2)O3)=O)C3=C1OC
LogP 1.020 (est)

Safety Information

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Usage And Synthesis

LIMOCITRIN Supplier