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Home > Encyclopedia > 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid

4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid

4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid structure

4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid 

structure
  • CAS No:

    85872-58-8

  • Formula:

    C14H12N4O4

  • Chemical Name:

    4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid

  • 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)-

4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzoic acid Basic Attributes

300.27 g/mol

300.08585488 g/mol

DTXSID50235183

Characteristics

107 Ų

Drug Information

BW A-533U

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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