8-chloro-7-(3-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
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8-chloro-7-(3-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
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CAS No:
21622-65-1
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Formula:
C11H15ClN4O3
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Chemical Name:
8-chloro-7-(3-hydroxybutyl)-1,3-dimethylpurine-2,6-dione
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Synonyms:
8-Chloro-7-(3-hydroxybutyl)theophylline;21622-65-1;ACMC-20mgal;8-chloro-7-(3-hydroxybutyl)-1,3-dimethyl-purine-2,6-dione;112458-72-7;Theophylline, 8-chloro-7-(3-hydroxybutyl)-;8-Chloro-7-(3-hydroxybutyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
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CAS No:
8-chloro-7-(3-hydroxybutyl)-1,3-dimethylpurine-2,6-dione Basic Attributes
286.71 g/mol
286.0832680 g/mol
Computed Properties
Molecular Weight:286.71
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:286.0832680
Monoisotopic Mass:286.0832680
Topological Polar Surface Area:78.7
Heavy Atom Count:19
Complexity:394
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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