Methoxydienone Structure

Methoxydienone

Chemical Properties

Melting point 122-124 °C
Boiling point 448.0±45.0 °C(Predicted)
Density  1.09±0.1 g/cm3(Predicted)
vapor pressure  0Pa at 25℃
solubility  Chloroform (Slightly), Methanol (Slightly, Heated)
form  Solid
color  White to Off-White
Water Solubility  270μg/L at 20℃
InChI InChI=1S/C20H28O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-18H,3-4,6-12H2,1-2H3/t16-,17-,18+,20+/m1/s1
InChIKey PQMRKLSVUBRLLQ-XSYGEPLQSA-N
SMILES C1(OC)CC2=C(CC=1)[C@]1([H])[C@]([H])([C@@]3([H])[C@](CC)(CC1)C(=O)CC3)CC2
LogP 5.86 at 25℃
CAS DataBase Reference 2322-77-2(CAS DataBase Reference)
FDA UNII 12AU99WIMP

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