Caffeidinecarboxylic acid
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Caffeidinecarboxylic acid
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CAS No:
54536-15-1
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Formula:
C8H12N4O3
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Chemical Name:
Caffeidinecarboxylic acid
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Synonyms:
caffeidine acid;N-(4-(5-carboxy-1-methylimidazolyl))-N,N"-dimethylurea;3-methyl-5-[methyl(methylcarbamoyl)amino]imidazole-4-carboxylic acid;CTK1H2633;DTXSID20202948;ZINC5115458;1H-Imidazole-5-carboxylic acid, 1-methyl-4-(methyl((methylamino)carbonyl)amino)-;X3536;3-methyl-5-(methyl-(methylcarbamoyl)amino)imidazole-4-carboxylic acid
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CAS No:
Caffeidinecarboxylic acid Use and Manufacturing
Caffeidine Acid is a potential degradation product from the hydrolysis of Caffeine (C080100) under alkaline environment.
Computed Properties
Molecular Weight:212.21
XLogP3:-0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:212.09094026
Monoisotopic Mass:212.09094026
Topological Polar Surface Area:87.5
Heavy Atom Count:15
Complexity:271
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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