2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid
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2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid
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CAS No:
5438-71-1
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Formula:
C11H14N4O4
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Chemical Name:
2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid
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Synonyms:
1H-Purine-8-butanoic acid,2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-;1H-Purine-8-butanoic acid,2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-;2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid;8-(3-Carboxypropyl)theophylline;8-(3-Carboxypropyl)-1,3-dimethylxanthine;Theophylline-8-butyric acid;NSC 14374
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CAS No:
2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid Basic Attributes
266.25300
266.25
1UR2VV86WO
14374
DTXSID90202753
2933990090
Computed Properties
Molecular Weight:266.25
XLogP3:0.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:266.10150494
Monoisotopic Mass:266.10150494
Topological Polar Surface Area:107
Heavy Atom Count:19
Complexity:414
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,3,6,9-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purine-8-butanoic acid
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