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5313-35-9,MFCD00126943
Catalog No.:AA00DJP2

5313-35-9 | 2-Methyl-1H-imidazole-4,5-dicarboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%+
1 week  
$655.00   $459.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DJP2
Chemical Name:
2-Methyl-1H-imidazole-4,5-dicarboxylic acid
CAS Number:
5313-35-9
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD00126943
SMILES:
Cc1nc(c([nH]1)C(=O)O)C(=O)O
NSC Number:
72089
Properties
Properties
 
BP:
606.2°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
218  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.2  

Literature

Title: Fluorescent-based solid sensor for HSO4(-) in water.

Journal: Photochemistry and photobiology 20100101

Title: New 2-methylimidazole-dicarboxylic acid molecular crystals: crystal structure and proton conductivity.

Journal: Journal of physics. Condensed matter : an Institute of Physics journal 20090826

Title: Diaqua-bis(2-methyl-1H-imidazol-3-ium-4,5-dicarboxyl-ato-κO,O')magnesium.

Journal: Acta crystallographica. Section E, Structure reports online 20090701

Title: Evaluating hydrogen bond interactions in enzymes containing Mn(III)-histidine complexation using manganese-imidazole complexes.

Journal: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20030201

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SDS
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Tags:5313-35-9 Molecular Formula|5313-35-9 MDL|5313-35-9 SMILES|5313-35-9 2-Methyl-1H-imidazole-4,5-dicarboxylic acid
Catalog No.: AA00DJP2
5313-35-9,MFCD00126943
5313-35-9 | 2-Methyl-1H-imidazole-4,5-dicarboxylic acid
Pack Size： 1g
Purity： 95%+
1 week
$655.00 $459.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DJP2
Chemical Name: 2-Methyl-1H-imidazole-4,5-dicarboxylic acid
CAS Number: 5313-35-9
Molecular Formula: C6H6N2O4
Molecular Weight: 170.1228
MDL Number: MFCD00126943
SMILES: Cc1nc(c([nH]1)C(=O)O)C(=O)O
NSC Number: 72089
Properties
BP: 606.2°C at 760 mmHg  
Form: Solid  
Storage: Keep in dry area;2-8℃;  
Complexity: 218  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.2  
Literature fold

Title: Fluorescent-based solid sensor for HSO4(-) in water.

Journal: Photochemistry and photobiology20100101

Title: New 2-methylimidazole-dicarboxylic acid molecular crystals: crystal structure and proton conductivity.

Journal: Journal of physics. Condensed matter : an Institute of Physics journal20090826

Title: Diaqua-bis(2-methyl-1H-imidazol-3-ium-4,5-dicarboxyl-ato-κO,O')magnesium.

Journal: Acta crystallographica. Section E, Structure reports online20090701

Title: Evaluating hydrogen bond interactions in enzymes containing Mn(III)-histidine complexation using manganese-imidazole complexes.

Journal: Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry20030201

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