3-Oxoicosanoic acid

Base Information

• Chemical Name: 3-Oxoicosanoic acid
• CAS No.: 4443-64-5
• DSSTox Substance ID: DTXSID201315101
• Nikkaji Number: J206.234H
• Wikidata: Q27123390
• Metabolomics Workbench ID: 1623

Synonyms:3-oxoicosanoic acid;3-oxoeicosanoic acid;3-oxo-eicosanoic acid;3-Ketoarachic acid;3-oxoarachidic acid;LMFA01060134;3-ketoeicosanoic acid;beta-oxoarachidic acid;beta-oxoicosanoic acid;beta-oxoeicosanoic acid;SCHEMBL337964;CHEBI:52350;DTXSID201315101;Q27123390;4443-64-5

Chemical Property of 3-Oxoicosanoic acid

Chemical Property:

• XLogP3: 8.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 326.28209507
• Heavy Atom Count: 23
• Complexity: 287

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)CC(=O)O

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