1H-Imidazole-4-carboxylic acid, 5-acetyl-2-propyl-, ethyl ester


Chemical Name: 1H-Imidazole-4-carboxylic acid, 5-acetyl-2-propyl-, ethyl ester
CAS Number: 144690-07-3
Product Number: AG001K08(AGN-PC-0O2XUB)
Synonyms:
MDL No:
Molecular Formula: C11H16N2O3
Molecular Weight: 224.2563

Identification/Properties


Computed Properties
Molecular Weight:
224.26g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
6
Exact Mass:
224.116g/mol
Monoisotopic Mass:
224.116g/mol
Topological Polar Surface Area:
72A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
268
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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