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100727-49-9,MFCD11181375
Catalog No.:AA0002NG
100727-49-9 | 2-Pyridinecarboxylic acid, 4-(phenylmethoxy)-
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250mg
95.0%
3 weeks  
$474.00
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Technical Information
Catalog Number:
AA0002NG
Chemical Name:
2-Pyridinecarboxylic acid, 4-(phenylmethoxy)-
CAS Number:
100727-49-9
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD11181375
IUPAC Name:
4-phenylmethoxypyridine-2-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c15-13(16)12-8-11(6-7-14-12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,15,16)
InChI Key:
MKVBGJYWNVWGHX-UHFFFAOYSA-N
SMILES:
OC(=O)c1nccc(c1)OCc1ccccc1
Properties
Computed Properties
 
Complexity:
251  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

Synonyms
 
4-(benzyloxy)pyridine-2-carboxylic acid 
100727-49-9 
AKOS009311352 
MCULE-8346277835 
NE56381 
Z1281658009 
2-Pyridinecarboxylic acid, 4-(phenylmethoxy)- 
ACMC-20m3sv 
2-pyridinecarboxylic acid,4-(phenylmethoxy)- 
4-(Benzyloxy)picolinic acid 
SCHEMBL11617562 
CTK0G8668 
DTXSID50605069 
ZINC36896260 
Literature
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