3-Chloro-3-methylpentane-2,4-dione

Base Information

• Chemical Name: 3-Chloro-3-methylpentane-2,4-dione
• CAS No.: 26074-25-9
• Molecular Formula: C₆H₉ClO₂
• Molecular Weight: 148.589
• DSSTox Substance ID: DTXSID00565841
• Nikkaji Number: J553.734G
• Wikidata: Q82451142
• Mol file: 26074-25-9.mol

Synonyms:3-Chloro-3-methylpentane-2,4-dione;26074-25-9;DTXSID00565841

Chemical Property of 3-Chloro-3-methylpentane-2,4-dione

Chemical Property:

• PSA: 34.14000
• LogP: 1.16190
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 148.0291072
• Heavy Atom Count: 9
• Complexity: 137

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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