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111468-94-1,MFCD06200986
Catalog No.:AA007AH8

111468-94-1 | 4-Propionyl-1h-pyrrole-2-carboxylic acid

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1mg
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5mg
>95%
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$319.00   $223.00
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10mg
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$358.00   $250.00
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1g
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5g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007AH8
Chemical Name:
4-Propionyl-1h-pyrrole-2-carboxylic acid
CAS Number:
111468-94-1
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD06200986
SMILES:
CCC(=O)c1c[nH]c(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
203  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
0.7  

Downstream Synthesis Route

[1]Garrido,DanielO.A.;Buldain,Graciela;Ojea,MariaI.;Frydman,Benjamin[JournalofOrganicChemistry,1988,vol.53,#2,p.403-407]

[1]Garrido,DanielO.A.;Buldain,Graciela;Ojea,MariaI.;Frydman,Benjamin[JournalofOrganicChemistry,1988,vol.53,#2,p.403-407]

[1]Garrido,DanielO.A.;Buldain,Graciela;Ojea,MariaI.;Frydman,Benjamin[JournalofOrganicChemistry,1988,vol.53,#2,p.403-407]

111468-94-1   
N,N'-(disulfanediylbis(ethane-2,1-diyl))bis(4-propionyl-1H-pyrrole-2-carboxamide) 

[1]Cawood,EmmaE.;Guthertz,Nicolas;Ebo,JessicaS.;Karamanos,TheodorosK.;Radford,SheenaE.;Wilson,AndrewJ.[JournaloftheAmericanChemicalSociety,2020,vol.142,#49,p.20845-20854]

C2H6NPolS 
  111468-94-1   
C10H14N2O2S 

[1]Cawood,EmmaE.;Guthertz,Nicolas;Ebo,JessicaS.;Karamanos,TheodorosK.;Radford,SheenaE.;Wilson,AndrewJ.[JournaloftheAmericanChemicalSociety,2020,vol.142,#49,p.20845-20854]

Literature
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SDS
Tags:111468-94-1 Molecular Formula|111468-94-1 MDL|111468-94-1 SMILES|111468-94-1 4-Propionyl-1h-pyrrole-2-carboxylic acid