1H-Imidazole-4,5-dicarboxylic acid, 1-methyl-


Chemical Name: 1H-Imidazole-4,5-dicarboxylic acid, 1-methyl-
CAS Number: 19485-38-2
Product Number: AG003EIM(AGN-PC-0JPISG)
Synonyms:
MDL No: MFCD01552045
Molecular Formula: C6H6N2O4
Molecular Weight: 170.1228

Identification/Properties


Properties
MP:
253-254 °C
BP:
531.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
170.124g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
170.033g/mol
Monoisotopic Mass:
170.033g/mol
Topological Polar Surface Area:
92.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
218
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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