55579-76-5

Name 5-[3,4(METHYLENEDIOXY)PHENYL]-1,3-CYCLOHEXANEDIONE
CAS 55579-76-5
Molecular Formula C13H12O4
MDL Number MFCD00111711
Molecular Weight 232.23
MOL File 55579-76-5.mol
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Chemical Properties

Melting point  179-181 °C(lit.)
Boiling point  413.5±45.0 °C(Predicted)
density  1.328±0.06 g/cm3(Predicted)
form  solid
pka 4.92±0.20(Predicted)
InChI 1S/C13H12O4/c14-10-3-9(4-11(15)6-10)8-1-2-12-13(5-8)17-7-16-12/h1-2,5,9H,3-4,6-7H2
InChIKey BNXUYPAIVILSTN-UHFFFAOYSA-N
SMILES O=C1CC(CC(=O)C1)c2ccc3OCOc3c2

Safety Data

WGK Germany  3
HS Code  2932990090
Storage Class 11 - Combustible Solids

Spectrum Detail

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