5-Methyl-5-cycloheptenylbarbituric acid

Base Information

• Chemical Name: 5-Methyl-5-cycloheptenylbarbituric acid
• CAS No.: 102585-89-7
• Molecular Formula: C13H18 N2 O3
• Molecular Weight: 250.2936
• Nikkaji Number: J105.426K
• Wikidata: Q76327268
• Mol file: 102585-89-7.mol

Synonyms:5-Methyl-5-cyclooctenylbarbitursaeure [German];5-Methyl-5-cycloheptenylbarbituric acid;5-(Cycloocten-1-yl)-5-methylbarbituric acid;5-Methyl-5-cyclooctenylbarbitursaeure;BARBITURIC ACID, 5-(CYCLOOCTEN-1-YL)-5-METHYL-;102585-89-7;LS-24083;5-(1-Cycloocten-1-yl)-5-methylbarbituric acid

Chemical Property of 5-Methyl-5-cycloheptenylbarbituric acid

Chemical Property:

• Density: 1.173g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.13174244
• Heavy Atom Count: 18
• Complexity: 406

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=O)NC(=O)NC1=O)C2=CCCCCCC2
• Isomeric SMILES: CC1(C(=O)NC(=O)NC1=O)/C/2=C/CCCCCC2

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