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


Chemical Name: 1H-Imidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-
CAS Number: 39828-47-2
Product Number: AG00773G(AGN-PC-0K4Q7Z)
Synonyms:
MDL No:
Molecular Formula: C4H4N2O3
Molecular Weight: 128.0862

Identification/Properties


Computed Properties
Molecular Weight:
128.087g/mol
XLogP3:
-1.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
128.022g/mol
Monoisotopic Mass:
128.022g/mol
Topological Polar Surface Area:
78.4A^2
Heavy Atom Count:
9
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

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NMR Spectrum


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