3-(Oct-1-EN-3-YL)pentane-2,4-dione

Base Information

• Chemical Name: 3-(Oct-1-EN-3-YL)pentane-2,4-dione
• CAS No.: 80403-80-1
• Molecular Formula: C13H22O2
• Molecular Weight: 210.316
• DSSTox Substance ID: DTXSID60538071

Synonyms:80403-80-1;3-(OCT-1-EN-3-YL)PENTANE-2,4-DIONE;DTXSID60538071

Chemical Property of 3-(Oct-1-EN-3-YL)pentane-2,4-dione

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 210.161979940
• Heavy Atom Count: 15
• Complexity: 217

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C=C)C(C(=O)C)C(=O)C

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