8-(4-hydroxybutyl)-1,3-dimethyl-7H-purine-2,6-dione
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8-(4-hydroxybutyl)-1,3-dimethyl-7H-purine-2,6-dione
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CAS No:
35873-44-0
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Formula:
C11H16N4O3
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Chemical Name:
8-(4-hydroxybutyl)-1,3-dimethyl-7H-purine-2,6-dione
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Synonyms:
8-(4-hydroxy-butyl)-1,3-dimethyl-3,7(9)-dihydro-purine-2,6-dione; Xanthine,1,3-dimethyl-8-(4-hydroxybutyl); 8-(4-Hydroxybutyl)theophylline; 8-(4-hydroxybutyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; 8-(4-Hydroxybutyl)theophyllin; Theophylline,8-(4-hydroxybutyl);Expand
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CAS No:
8-(4-hydroxybutyl)-1,3-dimethyl-7H-purine-2,6-dione Basic Attributes
252.27000
252.12224039 g/mol
DTXSID40189429
2933990090
Computed Properties
Molecular Weight:252.27
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:252.12224039
Monoisotopic Mass:252.12224039
Topological Polar Surface Area:89.5
Heavy Atom Count:18
Complexity:349
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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