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17120-26-2,MFCD00030406
Catalog No.:AA00JAUY

17120-26-2 | 4-Formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

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100mg
95%
in stock  
$128.00   $89.00
- +
250mg
95%
in stock  
$253.00   $178.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00JAUY
Chemical Name:
4-Formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
CAS Number:
17120-26-2
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00030406
SMILES:
O=Cc1c(C)[nH]c(c1C)C(=O)O
Properties
Computed Properties
 
Complexity:
205  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
0.8  

Downstream Synthesis Route
17120-26-2    109-77-3   
4-(2,2-dicyano-vinyl)-3,5-dimethyl-pyrrole-2-carboxylicacid 

[1]Fischeretal.[JustusLiebigsAnnalenderChemie,1932,vol.494,p.246,257]

[1]Treibs;Derra-Scherer[JustusLiebigsAnnalenderChemie,1954,vol.589,p.188,194]

[1]Fischer;Weiss;Schubert[ChemischeBerichte,1923,vol.56,p.1198]

[1]CurrentPatentAssignee:OTSUKAHOLDINGSCOLTD-EP1911755,2008,A1Locationinpatent:Page/Pagecolumn30-31

[2]Fischer;Weiss;Schubert[ChemischeBerichte,1923,vol.56,p.1198]

Literature
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SDS
Tags:17120-26-2 Molecular Formula|17120-26-2 MDL|17120-26-2 SMILES|17120-26-2 4-Formyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid