1H-Imidazole-2-carboxylic acid, methyl ester


Chemical Name: 1H-Imidazole-2-carboxylic acid, methyl ester
CAS Number: 17334-09-7
Product Number: AG001YTF(AGN-PC-0JSQ1S)
Synonyms:
MDL No:
Molecular Formula: C5H6N2O2
Molecular Weight: 126.1133

Identification/Properties


Properties
MP:
195.5-196.0 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
126.115g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
126.043g/mol
Monoisotopic Mass:
126.043g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
116
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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