3-Acetyl-5-heptyn-2-one

Base Information

• Chemical Name: 3-Acetyl-5-heptyn-2-one
• CAS No.: 33831-86-6
• Molecular Formula: C9H12O2
• DSSTox Substance ID: DTXSID10606294
• Wikidata: Q82504983

Synonyms:3-acetyl-5-heptyn-2-one;33831-86-6;SCHEMBL11587163;DTXSID10606294;XLCYSOJCXWLOHG-UHFFFAOYSA-N;3-(But-2-yn-1-yl)pentane-2,4-dione

Chemical Property of 3-Acetyl-5-heptyn-2-one

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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