62251-96-1

Name CORONATINE
CAS 62251-96-1
Molecular Formula C18H25NO4
Molecular Weight 319.4
MOL File 62251-96-1.mol
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Chemical Properties

Boiling point  565.2±50.0 °C(Predicted)
density  1.22±0.1 g/cm3(Predicted)
storage temp.  -20°C
solubility  H2O: soluble 0.2 mg/mL || DMSO: soluble 20 mg/mL || methanol: soluble 20 mg/mL
form  Solid
pka 5.14±0.50(Predicted)
color  White to off-white
biological source Pseudomonas syringae pv Glycinea
Water Solubility  H2O: soluble 0.2mg/mL
DMSO: soluble 20mg/mL
methanol: soluble 20mg/mL
InChI 1S/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)
InChIKey FMGBNISRFNDECK-UHFFFAOYSA-N
SMILES CCC1CC2C(CCC2=O)C(=C1)C(=O)NC3(CC3CC)C(O)=O

Safety Data

WGK Germany  WGK 3
Storage Class 11 - Combustible Solids

Hazard Information

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