7,9-dimethyl-3H-purin-9-ium-2,6-dione
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7,9-dimethyl-3H-purin-9-ium-2,6-dione
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CAS No:
5752-21-6
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Formula:
C7H9N4O2+
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Chemical Name:
7,9-dimethyl-3H-purin-9-ium-2,6-dione
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Synonyms:
7,9-Dimethylxanthine betaine;NSC 54245;ZINC14884921;1,6-Dihydro-2-hydroxy-7,9-dimethyl-6-oxopurinium hydroxide, inner salt;Purinium, 1,6-dihydro-2-hydroxy-7,9-dimethyl-6-oxo-, hydroxide, inner salt
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CAS No:
Computed Properties
Molecular Weight:181.17
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Exact Mass:181.07255054
Monoisotopic Mass:181.07255054
Topological Polar Surface Area:67
Heavy Atom Count:13
Formal Charge:1
Complexity:267
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
Guide of 7,9-dimethyl-3H-purin-9-ium-2,6-dione
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