1H-Benzimidazole-5-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester


Chemical Name: 1H-Benzimidazole-5-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester
CAS Number: 106429-57-6
Product Number: AG0083RB(AGN-PC-0N31CL)
Synonyms:
MDL No:
Molecular Formula: C9H8N2O3
Molecular Weight: 192.1714

Identification/Properties


Computed Properties
Molecular Weight:
192.174g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
192.053g/mol
Monoisotopic Mass:
192.053g/mol
Topological Polar Surface Area:
67.4A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
267
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


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