23800-56-8

Name DHELWANGIN
CAS 23800-56-8
Molecular Formula C12H16O4
MDL Number MFCD09837856
Molecular Weight 224.25
MOL File 23800-56-8.mol

Chemical Properties

Boiling point  348.2±42.0℃ (760 Torr)
density  1.185±0.06 g/cm3 (20 ºC 760 Torr)
Fp  129.9±21.4℃
storage temp.  4°C, protect from light
solubility  DMF: 1.6mg/mL; DMSO: 3mg/mL; Ethanol: 3mg/mL; Ethanol:PBS (pH 7.2) (1:5): 0.16mg/mL
form  A solid
pka 5.27±0.50(Predicted)
color  White to off-white
InChI InChI=1S/C12H16O4/c1-7(2)4-5-9(13)11-10(14)6-8(3)16-12(11)15/h6-7,14H,4-5H2,1-3H3
InChIKey AJFJTORMMHWKFW-UHFFFAOYSA-N
SMILES C1(=O)OC(C)=CC(O)=C1C(=O)CCC(C)C
LogP 0.750 (est)

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