1H-Imidazole-4,5-dicarboxylic acid, dimethyl ester


Chemical Name: 1H-Imidazole-4,5-dicarboxylic acid, dimethyl ester
CAS Number: 3304-70-9
Product Number: AG003PLE(AGN-PC-0JLQA3)
Synonyms:
MDL No:
Molecular Formula: C7H8N2O4
Molecular Weight: 184.1494

Identification/Properties


Properties
MP:
197-201 °C
BP:
338.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5200 (estimate)
Computed Properties
Molecular Weight:
184.151g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
184.048g/mol
Monoisotopic Mass:
184.048g/mol
Topological Polar Surface Area:
81.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
219
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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