Home Other Building Blocks 114150-57-1
114150-57-1,MFCD12025948
Catalog No.:AA000ALK

114150-57-1 | 4,6-Dioxo-6-phenylhexanoic acid

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1mg
>95%
1 week  
$299.00   $209.00
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5mg
>95%
1 week  
$319.00   $223.00
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10mg
>95%
1 week  
$358.00   $250.00
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500mg
>95%
1 week  
$589.00   $412.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000ALK
Chemical Name:
4,6-Dioxo-6-phenylhexanoic acid
CAS Number:
114150-57-1
Molecular Formula:
C12H12O4
Molecular Weight:
220.2213
MDL Number:
MFCD12025948
SMILES:
O=C(CC(=O)c1ccccc1)CCC(=O)O
Properties
Computed Properties
 
Complexity:
277  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
6  
XLogP3:
1.2  

Downstream Synthesis Route

[1]Murray,WilliamV.;Wachter,MichaelP.[JournalofOrganicChemistry,1990,vol.55,#10,p.3424-3426]

[2]Locationinpatent:schemeortableErguen,BurcuCaliskan;Nunez,MariaTeresa;Labeaga,Luis;Ledo,Francisco;Darlington,Janice;Bain,Gretchen;Cakir,Bilge;Banoglu,Erden[Arzneimittel-Forschung/DrugResearch,2010,vol.60,#8,p.497-505]

[1]CurrentPatentAssignee:C.H.BoehringerSohnAG&Co.KG-US6479524,2002,B1

[1]Locationinpatent:experimentalpartErguen,BurcuCaliskan;Nunez,MariaTeresa;Labeaga,Luis;Ledo,Francisco;Darlington,Janice;Bain,Gretchen;Cakir,Bilge;Banoglu,Erden[Arzneimittel-Forschung/DrugResearch,2010,vol.60,#8,p.497-505]

[1]Erguen,BurcuCaliskan;Nunez,MariaTeresa;Labeaga,Luis;Ledo,Francisco;Darlington,Janice;Bain,Gretchen;Cakir,Bilge;Banoglu,Erden[Arzneimittel-Forschung/DrugResearch,2010,vol.60,#8,p.497-505]

[1]Erguen,BurcuCaliskan;Nunez,MariaTeresa;Labeaga,Luis;Ledo,Francisco;Darlington,Janice;Bain,Gretchen;Cakir,Bilge;Banoglu,Erden[Arzneimittel-Forschung/DrugResearch,2010,vol.60,#8,p.497-505]

Literature
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SDS
Tags:114150-57-1 Molecular Formula|114150-57-1 MDL|114150-57-1 SMILES|114150-57-1 4,6-Dioxo-6-phenylhexanoic acid