2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methyl-2-butenyl)-

Base Information

• Chemical Name: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methyl-2-butenyl)-
• CAS No.: 104886-25-1
• Molecular Formula: C9H12N2O3
• Molecular Weight: 196.20300
• DSSTox Substance ID: DTXSID40388612
• Mol file: 104886-25-1.mol

Synonyms:NIOSH/CQ7170450;5-(3-Methyl-2-butenyl)barbituric acid;Barbituric acid, 5-(3-methyl-2-butenyl)-;CQ71704500;5-[3-Methyl-2-butenyl]barbituric Acid;104886-25-1;2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methyl-2-butenyl)-;SCHEMBL7646672;DTXSID40388612;HBORXEVUMRURNO-UHFFFAOYSA-N;LS-24606

Chemical Property of 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methyl-2-butenyl)-

Chemical Property:

• PSA: 82.25000
• LogP: 0.87670
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 196.08479225
• Heavy Atom Count: 14
• Complexity: 296

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1C(=O)NC(=O)NC1=O)C

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