1H-Imidazole-5-carboxylic acid, 1-methyl-, methyl ester


Chemical Name: 1H-Imidazole-5-carboxylic acid, 1-methyl-, methyl ester
CAS Number: 17289-20-2
Product Number: AG00355G(AGN-PC-0KK856)
Synonyms:
MDL No: MFCD01567300
Molecular Formula: C6H8N2O2
Molecular Weight: 140.1399

Identification/Properties


Properties
MP:
48-50 °C
BP:
284.625 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
140.142g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
140.059g/mol
Monoisotopic Mass:
140.059g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
138
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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