4-Methylheptane-2,6-dione

Base Information

• Chemical Name: 4-Methylheptane-2,6-dione
• CAS No.: 5526-47-6
• Molecular Formula: C8H14O2
• Molecular Weight: 142.198
• DSSTox Substance ID: DTXSID50549111
• Nikkaji Number: J1.666.691B
• Wikidata: Q82428022
• Mol file: 5526-47-6.mol

Synonyms:4-Methylheptane-2,6-dione;4-methyl-heptane-2,6-dione;5526-47-6;4-methyl-2,6-heptanedione;SCHEMBL2612027;DTXSID50549111

Chemical Property of 4-Methylheptane-2,6-dione

Chemical Property:

• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 142.099379685
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

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