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55240-51-2,MFCD03086008
Catalog No.:AA003HSV
55240-51-2 | 2-Phenylisonicotinic acid
Pack Size
Purity
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Price(USD)
Quantity
  
250mg
98%
in stock  
$86.00   $60.00
- +
1g
98%
in stock  
$200.00   $140.00
- +
5g
98%
in stock  
$675.00   $473.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003HSV
Chemical Name:
2-Phenylisonicotinic acid
CAS Number:
55240-51-2
Molecular Formula:
C12H9NO2
Molecular Weight:
199.2054
MDL Number:
MFCD03086008
IUPAC Name:
2-phenylpyridine-4-carboxylic acid
InChI:
InChI=1S/C12H9NO2/c14-12(15)10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChI Key:
OMMKWOVBOKXXQU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccnc(c1)c1ccccc1
Properties
Computed Properties
 
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.063g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.209g/mol
Monoisotopic Mass:
199.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  

Synonyms
 
2-Phenylisonicotinic acid 
55240-51-2 
SCHEMBL648273 
CTK1G9050 
KS-00000CXY 
DTXSID50376505 
OMMKWOVBOKXXQU-UHFFFAOYSA-N 
ALBB-019460 
ZINC2506115 
4-Pyridinecarboxylicacid, 2-phenyl- 
ANW-32269 
MFCD03086008 
2-phenylpyridine-4-carboxylic Acid 
SBB052864 
AKOS004911929 
CCG-139870 
MCULE-2481057359 
PS-4415 
AJ-36100 
AK-91665 
SY028466 
ST2417161 
TC-121014 
4-Pyridinecarboxylic acid, 2-phenyl- 
FT-0763372 
V6577 
MFCD03086008 (97%) 
A-2812 
C12H9NO2 
2-PHENYL-ISONICOTINICACID 
CID2762845 
2-(Phenyl)-isonicotinic acid 
2-Phenyl-4-pyridinecarboxylic acid 
ACMC-209llr 
2-PhenylisonicotinicAcid 
AC1MC7FG 
2-phenyl-isonicotinic acid 
Literature
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