1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid

Base Information

• Chemical Name: 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid
• CAS No.: 71965-22-5
• Molecular Formula: C6H4 N4 O4
• Molecular Weight: 196.12036
• Hs Code.: 2933990090
• European Community (EC) Number: 276-241-2
• DSSTox Substance ID: DTXSID30992661
• Nikkaji Number: J295.103G
• Wikidata: Q82982996
• Mol file: 71965-22-5.mol

Synonyms:71965-22-5;2,6-Dioxo-2,3-dihydro-1H-purine-9(6H)-carboxylic acid;1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid;EINECS 276-241-2;2,6-dioxo-1,2,3,6-tetrahydro-9H-purine-9-carboxylic acid;SCHEMBL6275156;DTXSID30992661;2,6-Dihydroxy-9H-purine-9-carboxylic acid;2,6-dioxo-2,3,6,9-tetrahydro-1H-purine-9-carboxylic acid

Chemical Property of 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid

Chemical Property:

• PSA: 121.36000
• Density: 2.27g/cm³
• LogP: -0.23640
• Storage Temp.: 2-8°C
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 196.02325462
• Heavy Atom Count: 14
• Complexity: 317

Purity/Quality:

99% ^*data from raw suppliers

2,6-Dioxo-2,3-dihydro-1H-purine-9(6H)-carboxylicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NC2=C(N1C(=O)O)NC(=O)NC2=O