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


Chemical Name: 1H-Imidazole-4-carboxylic acid, ethyl ester
CAS Number: 23785-21-9
Product Number: AG00BBXV(AGN-PC-0O84LH)
Synonyms:
MDL No: MFCD02646639
Molecular Formula: C6H8N2O2
Molecular Weight: 140.1399

Identification/Properties


Properties
MP:
160-162 °C
BP:
319.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
140.142g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
140.059g/mol
Monoisotopic Mass:
140.059g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
127
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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