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1218764-87-4,MFCD16877671
Catalog No.:AA00HGF2
1218764-87-4 | 1,2-Dimethyl-1H-Imidazole-4,5-Dicarboxylic Acid
Pack Size
Purity
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Price(USD)
Quantity
  
100mg
95%
in stock  
$172.00
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250mg
95%
in stock  
$322.00
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1g
95%
in stock  
$617.00
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5g
95%
in stock  
$2,826.00
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00HGF2
Chemical Name:
1,2-Dimethyl-1H-Imidazole-4,5-Dicarboxylic Acid
CAS Number:
1218764-87-4
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD16877671
IUPAC Name:
1,2-dimethylimidazole-4,5-dicarboxylic acid
InChI:
InChI=1S/C7H8N2O4/c1-3-8-4(6(10)11)5(7(12)13)9(3)2/h1-2H3,(H,10,11)(H,12,13)
InChI Key:
FYZUPKJUPDDKFI-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(nc(n1C)C)C(=O)O
Properties
Computed Properties
 
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.048g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
184.151g/mol
Monoisotopic Mass:
184.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Synonyms
 
1,2-Dimethyl-1H-imidazole-4,5-dicarboxylic acid 
1218764-87-4 
SCHEMBL9292061 
MFCD16877671 
ZINC166178959 
CS-0037527 
1,2-dimethylimidazole-4,5-dicarboxylic acid 
Literature
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