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10177-13-6,MFCD06802742
Catalog No.:AA0005DC
10177-13-6 | Methyl 5-phenylnicotinate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$555.00   $389.00
- +
5g
98%
in stock  
$2,222.00   $1,555.00
- +
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Technical Information
Catalog Number:
AA0005DC
Chemical Name:
Methyl 5-phenylnicotinate
CAS Number:
10177-13-6
Molecular Formula:
C13H11NO2
Molecular Weight:
213.2319
MDL Number:
MFCD06802742
IUPAC Name:
methyl 5-phenylpyridine-3-carboxylate
InChI:
InChI=1S/C13H11NO2/c1-16-13(15)12-7-11(8-14-9-12)10-5-3-2-4-6-10/h2-9H,1H3
InChI Key:
CJXJQNNSSJBPBF-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)c1ccccc1
Properties
Computed Properties
 
Complexity:
236  
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:
0
Isotope Atom Count:
0
Molecular Weight:
213.236g/mol
Monoisotopic Mass:
213.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
methyl 5-phenylnicotinate 
10177-13-6 
AKOS004118984 
RL00095 
AJ-58329 
PS-11147 
4CH-004863 
BB 0223892 
ST24048024 
J3.568.386K 
5-phenyl-3-pyridinecarboxylic acid methyl ester 
5-Phenylpyridine-3-carboxylic acid methyl ester 
methyl 5-phenylpyridine-3-carboxylate 
5-phenyl-pyridine-3-carboxylic acid methyl ester 
A800448 
Methyl5-phenylnicotinate 
3-Pyridinecarboxylic acid, 5-phenyl-, methyl ester 
SCHEMBL9008962 
CTK8G4403 
DTXSID50602513 
CJXJQNNSSJBPBF-UHFFFAOYSA-N 
ZINC8700058 
MFCD06802742 
Literature
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