4-(2,4-diamino-8-oxo-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid

Base Information

• Chemical Name: 4-(2,4-diamino-8-oxo-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid
• CAS No.: 79722-42-2
• Molecular Formula: C15H11N7O3
• Molecular Weight: 337.29
• NSC Number: 209837
• DSSTox Substance ID: DTXSID40308815
• Wikidata: Q82056879

Synonyms:79722-42-2;NSC209837;SCHEMBL24668460;DTXSID40308815;4-(2,4-diamino-8-oxo-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid;NSC-209837

Chemical Property of 4-(2,4-diamino-8-oxo-6H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid

Chemical Property:

• Vapor Pressure: 3.36E-28mmHg at 25°C
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 2
• Exact Mass: 337.09233724
• Heavy Atom Count: 25
• Complexity: 553

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: C1C2=C(C(=O)N1C3=CC=C(C=C3)C(=O)O)N=C4C(=N2)C(=NC(=N4)N)N

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