8-(1,3-Benzodioxol-5-yl)-3,9-dihydro-3-methyl-1H-purine-2,6-dione

Base Information

• Chemical Name: 8-(1,3-Benzodioxol-5-yl)-3,9-dihydro-3-methyl-1H-purine-2,6-dione
• CAS No.: 61885-28-7
• Molecular Formula: C13H10N4O4
• DSSTox Substance ID: DTXSID701169086
• Mol file: 61885-28-7.mol

Synonyms:DTXSID701169086;8-(1,3-Benzodioxol-5-yl)-3,9-dihydro-3-methyl-1H-purine-2,6-dione;61885-28-7

Chemical Property of 8-(1,3-Benzodioxol-5-yl)-3,9-dihydro-3-methyl-1H-purine-2,6-dione

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 286.07020481
• Heavy Atom Count: 21
• Complexity: 473

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN1C2=C(C(=O)NC1=O)NC(=N2)C3=CC4=C(C=C3)OCO4