1H-Benzimidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-


Chemical Name: 1H-Benzimidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-
CAS Number: 291289-41-3
Product Number: AG002XF8(AGN-PC-0MTXMM)
Synonyms:
MDL No:
Molecular Formula: C8H6N2O3
Molecular Weight: 178.1448

Identification/Properties


Computed Properties
Molecular Weight:
178.147g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
178.038g/mol
Monoisotopic Mass:
178.038g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
254
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

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NMR Spectrum


Other Analytical Data


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