8-chloro-7-[(3R)-3-hydroxybutyl]-1,3-dimethylpurine-2,6-dione
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![8-chloro-7-[(3R)-3-hydroxybutyl]-1,3-dimethylpurine-2,6-dione structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/39bba43abdb944208dd005a0ba720361.png "8-chloro-7-[(3R)-3-hydroxybutyl]-1,3-dimethylpurine-2,6-dione")
8-chloro-7-[(3R)-3-hydroxybutyl]-1,3-dimethylpurine-2,6-dione
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CAS No:
112425-58-8
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Formula:
C11H15ClN4O3
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Chemical Name:
8-chloro-7-[(3R)-3-hydroxybutyl]-1,3-dimethylpurine-2,6-dione
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Synonyms:
112425-58-8;8-Chloro-7-(3-hydroxybutyl)theophylline;DTXSID20920756;1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-7-(3-hydroxybutyl)-1,3-dimethyl-, (R)-;8-Chloro-7-(3-hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
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CAS No:
8-chloro-7-[(3R)-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
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 8-chloro-7-[(3R)-3-hydroxybutyl]-1,3-dimethylpurine-2,6-dione
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