4-Methylhex-1-yn-3-one

Base Information

• Chemical Name: 4-Methylhex-1-yn-3-one
• CAS No.: 72839-10-2
• Molecular Formula: C₇H₁₀O
• Molecular Weight: 110.156
• DSSTox Substance ID: DTXSID40501147

Synonyms:4-Methylhex-1-yn-3-one;72839-10-2;DTXSID40501147;AKOS014912456

Chemical Property of 4-Methylhex-1-yn-3-one

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 110.073164938
• Heavy Atom Count: 8
• Complexity: 127

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(=O)C#C

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