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1227594-72-0,MFCD15530274
Catalog No.:AA000JAF
1227594-72-0 | 3-Pyridinecarboxylic acid, 2-methoxy-5-methyl-
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$193.00
- +
250mg
96%
in stock  
$250.00
- +
1g
96%
in stock  
$556.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000JAF
Chemical Name:
3-Pyridinecarboxylic acid, 2-methoxy-5-methyl-
CAS Number:
1227594-72-0
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD15530274
IUPAC Name:
2-methoxy-5-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C8H9NO3/c1-5-3-6(8(10)11)7(12-2)9-4-5/h3-4H,1-2H3,(H,10,11)
InChI Key:
SXAHXCKRWVFPKB-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1C(=O)O)C
Properties
Computed Properties
 
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

Synonyms
 
2-Methoxy-5-methylnicotinic acid 
1227594-72-0 
MFCD15530274 
ZINC39961303 
AKOS006332704 
SC-95982 
TR-071278 
CS-0082374 
Z8659 
2-Methoxy-5-methylnicotinic acid, AldrichCPR 
A-6243 
C8H9NO3 
2-methoxy-5-methylpyridine-3-carboxylic acid 
3-Pyridinecarboxylic acid, 2-methoxy-5-methyl- 
ACMC-209amj 
AC1Q4F9P 
SCHEMBL17371705 
CTK7B2131 
DTXSID30673589 
ANW-18041 
Literature
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