3-Heptylpentane-2,4-dione

Base Information

• Chemical Name: 3-Heptylpentane-2,4-dione
• CAS No.: 56525-44-1
• Molecular Formula: C₁₂H₂₂O₂
• Molecular Weight: 198.305
• DSSTox Substance ID: DTXSID90518689
• Wikidata: Q82381475

Synonyms:3-HEPTYLPENTANE-2,4-DIONE;56525-44-1;DTXSID90518689

Chemical Property of 3-Heptylpentane-2,4-dione

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 198.161979940
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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