7-(2-hydroxy-2-methylpropyl)-1,3-dimethylpurine-2,6-dione
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7-(2-hydroxy-2-methylpropyl)-1,3-dimethylpurine-2,6-dione
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CAS No:
41011-04-5
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Formula:
C11H16N4O3
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Chemical Name:
7-(2-hydroxy-2-methylpropyl)-1,3-dimethylpurine-2,6-dione
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Synonyms:
7-(2-hydroxy-2-methyl-propyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; 1,3-Dimethyl-7-(2-hydroxy-2-methyl)propyl xanthine; 3,7-Dihydro-1,3-dimethyl-7-(2-hydroxy-2-methylpropyl)-1H-purine-2,6-dione; Theophylline,7-(2-hydroxy-2-methylpropyl); 7-(2-hydroxy-2-methylpropyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-hydroxy-2-methylpropyl);Expand
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CAS No:
7-(2-hydroxy-2-methylpropyl)-1,3-dimethylpurine-2,6-dione Basic Attributes
252.27000
252.12224039 g/mol
68PV1AP84A
DTXSID70194001
2933990090
Computed Properties
Molecular Weight:252.27
XLogP3:-0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:252.12224039
Monoisotopic Mass:252.12224039
Topological Polar Surface Area:78.7
Heavy Atom Count:18
Complexity:385
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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