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55579-77-6,MFCD03844402
Catalog No.:AA00D8KJ

55579-77-6 | 5-(2-Methoxyphenyl)cyclohexane-1,3-dione

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D8KJ
Chemical Name:
5-(2-Methoxyphenyl)cyclohexane-1,3-dione
CAS Number:
55579-77-6
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD03844402
SMILES:
COc1ccccc1C1CC(=O)CC(=O)C1
Properties
Computed Properties
 
Complexity:
269  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
2  
XLogP3:
1.3  

Downstream Synthesis Route
C14H12O5(2-)*2Na(1+) 
  55579-77-6 

[1]Kesten,StephenJ.;Degnan,MargaretJ.;Hung,Jocelyn;McNamara,DennisJ.;Ortwine,DanielF.;etal.[JournalofMedicinalChemistry,1992,vol.35,#19,p.3429-3447]

[1]Duerckheimer;Raether;Seliger;Seidenath[Arzneimittel-Forschung/DrugResearch,1980,vol.30,#7,p.1041-1046]

[2]Kesten,StephenJ.;Degnan,MargaretJ.;Hung,Jocelyn;McNamara,DennisJ.;Ortwine,DanielF.;etal.[JournalofMedicinalChemistry,1992,vol.35,#19,p.3429-3447]

[1]Nilsson,M.;Norin,T.[ActaChemicaScandinavica(1947),1963,vol.17,#4,p.1157-1159]

[1]Nilsson,M.;Norin,T.[ActaChemicaScandinavica(1947),1963,vol.17,#4,p.1157-1159]

[1]Hinkel;Ayling;Dippy[JournaloftheChemicalSociety,1935,p.539]

Literature
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Tags:55579-77-6 Molecular Formula|55579-77-6 MDL|55579-77-6 SMILES|55579-77-6 5-(2-Methoxyphenyl)cyclohexane-1,3-dione