3H-benzimidazole-5-carboxylic acid


Chemical Name: 3H-benzimidazole-5-carboxylic acid
CAS Number: 15788-16-6
Product Number: AG001PSW(AGN-PC-0JRHBS)
Synonyms:
MDL No: MFCD00011555
Molecular Formula: C8H6N2O2
Molecular Weight: 162.1454

Identification/Properties


Properties
MP:
>300 °C(lit.)
BP:
288.82°C (rough estimate)
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5770 (estimate)
Computed Properties
Molecular Weight:
162.148g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
162.043g/mol
Monoisotopic Mass:
162.043g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
196
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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