1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid
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1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid
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CAS No:
5439-47-4
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Formula:
C8H8N4O4
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Chemical Name:
1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid
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Synonyms:
1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylic acid;1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid;5439-47-4;8-Theophyllinecarboxylic acid;8-carboxytheophylline;SCHEMBL3369548;DTXSID10279861;NSC14359;ZINC8581213;NSC-14359;DS-008328
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CAS No:
1,3-dimethyl-2,6-dioxo-7H-purine-8-carboxylic acid Basic Attributes
224.17 g/mol
224.05455475 g/mol
14359
DTXSID10279861
Computed Properties
Molecular Weight:224.17
XLogP3:-0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:224.05455475
Monoisotopic Mass:224.05455475
Topological Polar Surface Area:107
Heavy Atom Count:16
Complexity:371
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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