5-nitro-1H-imidazole-2-carboxylic acid


Chemical Name: 5-nitro-1H-imidazole-2-carboxylic acid
CAS Number: 351990-51-7
Product Number: AG00CNEM(AGN-PC-0LAVRT)
Synonyms:
MDL No:
Molecular Formula: C4H3N3O4
Molecular Weight: 157.0843

Identification/Properties


Computed Properties
Molecular Weight:
157.085g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
157.012g/mol
Monoisotopic Mass:
157.012g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
188
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


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