7-(3-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
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7-(3-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
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CAS No:
21622-64-0
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Formula:
C11H16N4O3
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Chemical Name:
7-(3-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
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Synonyms:
21622-64-0;BRN 0269896;7-(3-hydroxybutyl)-1,3-dimethylpurine-2,6-dione;Theophylline, 7-(3-hydroxybutyl)-;7-(3-hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione;DTXSID70944225;1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(3-hydroxybutyl)-;3,7-Dihydro-1,3-dimethyl-7-(3-hydroxybutyl)-1H-purine-2,6-dione;7-(3-Hydroxybutyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
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CAS No:
Computed Properties
Molecular Weight:252.27
XLogP3:-0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:252.12224039
Monoisotopic Mass:252.12224039
Topological Polar Surface Area:78.7
Heavy Atom Count:18
Complexity:362
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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