4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid
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4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid
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CAS No:
85872-58-8
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Formula:
C14H12N4O4
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Chemical Name:
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid
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Synonyms:
BW A-533U;BW A533U;BW-A533U;BW A533U;CHEMBL11048;85872-58-8;BW A-533U;BW-A533U;SCHEMBL7110639;8-(4-Carboxyphenyl)theophylline;BW-A-533U;DTXSID50235183;BDBM50018159;PDSP1_000984;PDSP2_000968;4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzoic acid;Benzoic acid, 4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)-
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CAS No:
4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid Basic Attributes
300.27 g/mol
300.08585488 g/mol
DTXSID50235183
Computed Properties
Molecular Weight:300.27
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:300.08585488
Monoisotopic Mass:300.08585488
Topological Polar Surface Area:107
Heavy Atom Count:22
Complexity:503
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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