1H-Imidazole-4-carboxylic acid, methyl ester


Chemical Name: 1H-Imidazole-4-carboxylic acid, methyl ester
CAS Number: 17325-26-7
Product Number: AG00357O(AGN-PC-0O4W9C)
Synonyms:
MDL No: MFCD00216584
Molecular Formula: C5H6N2O2
Molecular Weight: 126.1133

Identification/Properties


Properties
MP:
154-156 °C(lit.)
BP:
318.2°C at 760 mmHg
Storage:
Room Temperature;
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:
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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