54952-43-1

Name Shikalkin
CAS 54952-43-1
Molecular Formula C16H16O5
MDL Number MFCD00016668
Molecular Weight 288.3
MOL File 54952-43-1.mol
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Chemical Properties

Melting point  144-145 °C
Boiling point  567.4±50.0 °C(Predicted)
density  1.373±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  methanol: soluble1mg/mL
form  powder or solid
pka 7.34±0.20(Predicted)
color  red to brown
Major Application metabolomics
vitamins, nutraceuticals, and natural products
InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3
InChIKey NEZONWMXZKDMKF-UHFFFAOYSA-N
SMILES C1(=O)C2=C(C(O)=CC=C2O)C(=O)C=C1C(O)C/C=C(\C)/C
LogP 4.350 (est)

Safety Data

Hazard Codes  Xn,N
Risk Statements 
Safety Statements 
RIDADR  UN 3077 9 / PGIII
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Aquatic Acute 1

Hazard Information

Spectrum Detail

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