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100004-94-2,MFCD14666477
Catalog No.:AA000079
100004-94-2 | 4-Pyridinecarboxylic acid, 2-(3-methylphenyl)-
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100mg
96%
in stock  
$169.00
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250mg
96%
in stock  
$338.00
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA000079
Chemical Name:
4-Pyridinecarboxylic acid, 2-(3-methylphenyl)-
CAS Number:
100004-94-2
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD14666477
IUPAC Name:
2-(3-methylphenyl)pyridine-4-carboxylic acid
InChI:
InChI=1S/C13H11NO2/c1-9-3-2-4-10(7-9)12-8-11(13(15)16)5-6-14-12/h2-8H,1H3,(H,15,16)
InChI Key:
IAIXMJKQOKCRSW-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nccc(c1)C(=O)O
Properties
Computed Properties
 
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.079g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

Synonyms
 
100004-94-2 
2-(M-tolyl)isonicotinic acid 
ZINC41226822 
2-(3-Methylphenyl)-isonicotinic acid 
AKOS016008348 
TS-03035 
AJ-104077 
AX8243141 
TC-102869 
Z6206 
4-Pyridinecarboxylic acid, 2-(3-methylphenyl)- 
2-(m-Tolyl)isonicotinicacid 
2-(3-METHYLPHENYL)ISONICOTINIC ACID 
C13H11NO2 
2-(3-Methylphenyl)pyridine-4-carboxylic acid 
ACMC-2097lq 
CTK8A8960 
KS-00003TJC 
DTXSID90540647 
ANW-14124 
MFCD14666477 
Literature
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