6-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hexanoic acid
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6-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hexanoic acid
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CAS No:
5438-78-8
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Formula:
C13H18N4O4
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Chemical Name:
6-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hexanoic acid
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Synonyms:
5438-78-8;6-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)hexanoic acid;8-Theophyllinehexanoic acid;6-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hexanoic acid;SCHEMBL9853204;DTXSID40279874;NSC14384;ZINC8581224;NSC-14384;DS-001548
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CAS No:
6-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)hexanoic acid Basic Attributes
294.31 g/mol
294.13280507 g/mol
14384
DTXSID40279874
Computed Properties
Molecular Weight:294.31
XLogP3:0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:294.13280507
Monoisotopic Mass:294.13280507
Topological Polar Surface Area:107
Heavy Atom Count:21
Complexity:442
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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