ChemicalBook--->CAS DataBase List--->55579-76-5

55579-76-5

55579-76-5 Structure

55579-76-5 Structure
IdentificationBack Directory
[Name]

5-[3,4(METHYLENEDIOXY)PHENYL]-1,3-CYCLOHEXANEDIONE
[CAS]

55579-76-5
[Synonyms]

RARECHEM AR PA 0042
5-(3,4-(METHYLENEDIOXY)PHENYL)-1,3- &
5-(1,3-BENZODIOXOL-5-YL)CYCLOHEXANE-1,3-DIONE
1,3-Cyclohexanedione, 5-(1,3-benzodioxol-5-yl)-
5-(Benzo[d][1,3]dioxol-5-yl)cyclohexane-1,3-dione
5-[3,4(METHYLENEDIOXY)PHENYL]-1,3-CYCLOHEXANEDIONE
5-[3,4-(METHYLENEDIOXY)PHENYL]-CYCLOHEXANE-1,3-DIONE
5-[3,4-(Methylenedioxy)phenyl]-1,3-cyclohexanedione 97%
5-[3,4-(METHYLENEDIOXY)PHENYL]-CYCLOHEXANE-1,3-DIONE 97%
5-(3,4-(METHYLENEDIOXY)PHENYL)CYCLOHEXANE-1,3-DIONE, TECH.
[Molecular Formula]

C13H12O4
[MDL Number]

MFCD00111711
[MOL File]

55579-76-5.mol
[Molecular Weight]

232.23
Chemical PropertiesBack Directory
[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 DataBack Directory
[WGK Germany ]

3
[HS Code ]

2932990090
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

5-[3,4(METHYLENEDIOXY)PHENYL]-1,3-CYCLOHEXANEDIONE(55579-76-5)IR
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