1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-phenyl-, 7-oxide
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1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-phenyl-, 7-oxide
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CAS No:
963-71-3
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Formula:
C13H12N4O3
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Chemical Name:
1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-phenyl-, 7-oxide
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Synonyms:
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-8-phenyl-,7-oxide;Theophylline,8-phenyl-,7-oxide;1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-8-phenyl-,7-oxide;NSC 251962
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CAS No:
1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-8-phenyl-, 7-oxide Basic Attributes
272.26 g/mol
272.26
251962
DTXSID40312270
Computed Properties
Molecular Weight:272.26
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:272.09094026
Monoisotopic Mass:272.09094026
Topological Polar Surface Area:78.7
Heavy Atom Count:20
Complexity:424
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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