Home Nitro Compounds 1020635-54-4
1020635-54-4,MFCD11052413
Catalog No.:AA0006EJ
1020635-54-4 | 2-Methoxy-5-nitronicotinic acid
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1g
95%
in stock  
$293.00   $205.00
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5g
95%
in stock  
$722.00   $505.00
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Technical Information
Catalog Number:
AA0006EJ
Chemical Name:
2-Methoxy-5-nitronicotinic acid
CAS Number:
1020635-54-4
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
MDL Number:
MFCD11052413
IUPAC Name:
2-methoxy-5-nitropyridine-3-carboxylic acid
InChI:
InChI=1S/C7H6N2O5/c1-14-6-5(7(10)11)2-4(3-8-6)9(12)13/h2-3H,1H3,(H,10,11)
InChI Key:
CKKHQPBRBNOKAQ-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1C(=O)O)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.028g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.134g/mol
Monoisotopic Mass:
198.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

Synonyms
 
1020635-54-4 
2-Methoxy-5-nitro-nicotinic acid 
MFCD11052413 
SBB092254 
ZINC43220537 
AKOS006309487 
AB63043 
AS-5144 
AK-51190 
AJ-108515 
RT-024616 
TR-072099 
2-Methoxy-5-nitronicotinic acid 
CS-0043372 
Y3215 
2-Methoxy-5-nitronicotinicacid 
C7H6N2O5 
2-methoxy-5-nitropyridine-3-carboxylic acid 
SCHEMBL3318266 
CTK7B2130 
KS-00003GVQ 
DTXSID10609462 
CKKHQPBRBNOKAQ-UHFFFAOYSA-N 
ANW-59014 
Literature
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