3-Hexyn-2-one, 5,5-dimethyl-

Base Information

• Chemical Name: 3-Hexyn-2-one, 5,5-dimethyl-
• CAS No.: 10564-81-5
• Molecular Formula: C₈H₁₂O
• Molecular Weight: 124.183
• DSSTox Substance ID: DTXSID60457495
• Nikkaji Number: J1.484.131H
• Wikidata: Q82280346

Synonyms:3-Hexyn-2-one, 5,5-dimethyl-;10564-81-5;5,5-Dimethyl-3-hexyne-2-one;SCHEMBL12430912;5,5-dimethyl-hex-3-yn-2-one;DTXSID60457495

Chemical Property of 3-Hexyn-2-one, 5,5-dimethyl-

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 170

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C#CC(C)(C)C

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