3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid
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3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid
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CAS No:
129107-78-4
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Formula:
C13H12N4O5S
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Chemical Name:
3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid
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Synonyms:
8-(3-sulfophenyl)theophylline;8-(m-sulfophenyl)theophylline;8-m-sulfophenyltheophylline;MS0T;8-(3-Sulfophenyl)theophylline;129107-78-4;8-m-sulfophenyltheophylline;MS0T;8-(m-Sulfophenyl)theophylline;ACMC-20mt3e;DTXSID70156063;3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid;3-(2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid;Benzenesulfonic acid,3-(2,3,6,9-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)-;3-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid;Benzenesulfonic acid, 3-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)-
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CAS No:
3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid Basic Attributes
336.33 g/mol
336.05284067 g/mol
DTXSID70156063
Computed Properties
Molecular Weight:336.33
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:336.05284067
Monoisotopic Mass:336.05284067
Topological Polar Surface Area:132
Heavy Atom Count:23
Complexity:618
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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