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Home Carboxys 4,5-Dicarboxy-1-methyl-1H-imidazole

4,5-Dicarboxy-1-methyl-1H-imidazole

CAS No.:
19485-38-2
Catalog Number:
AG003EIM
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$38
- +
5g
98%
In Stock USA
United States
$94
- +
10g
98%
In Stock USA
United States
$119
- +
25g
98%
In Stock USA
United States
$282
- +
100g
98%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG003EIM
Chemical Name:
4,5-Dicarboxy-1-methyl-1H-imidazole
CAS Number:
19485-38-2
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD01552045
IUPAC Name:
1-methylimidazole-4,5-dicarboxylic acid
InChI:
InChI=1S/C6H6N2O4/c1-8-2-7-3(5(9)10)4(8)6(11)12/h2H,1H3,(H,9,10)(H,11,12)
InChI Key:
YARDQACXPOQDMO-UHFFFAOYSA-N
SMILES:
OC(=O)c1n(C)cnc1C(=O)O
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Novel binding of beryllium to dicarboxyimidazole-based model compounds and polymers. Inorganic chemistry 20050808
Multinuclear Fe(III) complexes with polydentate ligands of the family of dicarboxyimidazoles: nuclearity- and topology-controlled syntheses and Magneto-structural correlations. Inorganic chemistry 20050516
Properties