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21788-49-8,MFCD19159881
Catalog No.:AA007P3B

21788-49-8 | 2-Butenedioic acid,2,3-dimethyl-, (2E)-

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100mg
98%;RG
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$96.00   $67.00
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250mg
98%;RG
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$133.00   $93.00
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1g
98%;RG
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$287.00   $201.00
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5g
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007P3B
Chemical Name:
2-Butenedioic acid,2,3-dimethyl-, (2E)-
CAS Number:
21788-49-8
Molecular Formula:
C6H8O4
Molecular Weight:
144.1253
MDL Number:
MFCD19159881
SMILES:
CC(=C(C(=O)O)C)C(=O)O
Properties
Computed Properties
 
Complexity:
180  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.3  

Downstream Synthesis Route

[1]v.Auwers;Harres[ChemischeBerichte,1929,vol.62,p.1686][Ph.Ch.<A>,vol.143,p.10]

766-39-2   
furan-2,3,5(4H)-trionepyridine(1:1) 
  21788-49-8    27697-13-8 

[1]Fittig;Kettner[JustusLiebigsAnnalenderChemie,1899,vol.304,p.158]Fittig[ChemischeBerichte,1896,vol.29,p.1842]

[1]Mueller,Paul;Pfyffer,Jean[HelveticaChimicaActa,1992,vol.75,#3,p.745-750]

[2]Piriniolu,Necmettin;Robinson,JamesJ.;Mahon,MaryF.;Buchanan,J.Grant;Williams,IanH.[OrganicandBiomolecularChemistry,2007,vol.5,#24,p.4001-4009]

[3]Tarbell;Bartlett[JournaloftheAmericanChemicalSociety,1937,vol.59,p.410]Couper;Kibler;Lutz[JournaloftheAmericanChemicalSociety,1941,vol.63,p.3]Lutz;Taylor[JournaloftheAmericanChemicalSociety,1933,vol.55,p.1585,1591]

[4]Fittig;Kettner[JustusLiebigsAnnalenderChemie,1899,vol.304,p.158]

[1]Lutz;Taylor[JournaloftheAmericanChemicalSociety,1933,vol.55,p.1585,1591]

[1]Fittig;Kettner[JustusLiebigsAnnalenderChemie,1899,vol.304,p.158]

[2]Lutz;Taylor[JournaloftheAmericanChemicalSociety,1933,vol.55,p.1585,1591]

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SDS
Tags:21788-49-8 Molecular Formula|21788-49-8 MDL|21788-49-8 SMILES|21788-49-8 2-Butenedioic acid,2,3-dimethyl-, (2E)-