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100004-94-2,MFCD14666477
Catalog No.:AA000079

100004-94-2 | 2-(3-methylphenyl)isonicotinic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
96%
in stock  
$53.00   $37.00
- +
250mg
96%
in stock  
$120.00   $84.00
- +
1g
96%
in stock  
$357.00   $250.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000079
Chemical Name:
2-(3-methylphenyl)isonicotinic acid
CAS Number:
100004-94-2
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD14666477
SMILES:
Cc1cccc(c1)c1nccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
254  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Chatterjea,J.N.;Shaw,S.C.;Prasad,Y.;Singh,R.P.[JournaloftheIndianChemicalSociety,1984,vol.61,#11;12,p.1028-1031]

[1]Chatterjea,J.N.;Shaw,S.C.;Prasad,Y.;Singh,R.P.[JournaloftheIndianChemicalSociety,1984,vol.61,#11;12,p.1028-1031]

67-56-1    100004-94-2   
methyl2-(3-tolyl)isonicotinate 

[1]Hashizume,Hirokazu;Ito,Hajime;Kanaya,Naoaki;Nagashima,Hajime;Usui,Hiroyuki;etal.[Heterocycles,1994,vol.38,#7,p.1551-1572]

[1]Hashizume,Hirokazu;Ito,Hajime;Kanaya,Naoaki;Nagashima,Hajime;Usui,Hiroyuki;etal.[Heterocycles,1994,vol.38,#7,p.1551-1572]

[1]Heterocycles,1994,vol.38,p.1551-1572

Literature
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SDS
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Tags:100004-94-2 Molecular Formula|100004-94-2 MDL|100004-94-2 SMILES|100004-94-2 2-(3-methylphenyl)isonicotinic acid