8-chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione;nitrous acid
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8-chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione;nitrous acid
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CAS No:
63906-67-2
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Formula:
C8H10ClN5O5
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Chemical Name:
8-chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione;nitrous acid
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Synonyms:
Theophylline, 8-chloro-7-hydroxymethyl-, nitrite (ester);63906-67-2;8-Chloro-7-hydroxycaffeine nitrite;Xanthine, 8-chloro-1,3-dimethyl-7-hydroxymethyl-, nitrite (ester);DTXSID90213581
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CAS No:
8-chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione;nitrous acid Basic Attributes
291.65 g/mol
291.0370461 g/mol
DTXSID90213581
Computed Properties
Molecular Weight:291.65
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:1
Exact Mass:291.0370461
Monoisotopic Mass:291.0370461
Topological Polar Surface Area:128
Heavy Atom Count:19
Complexity:350
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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