7-Methyl-3-oxooct-6-enoic acid

Base Information

• Chemical Name: 7-Methyl-3-oxooct-6-enoic acid
• CAS No.: 65180-53-2
• Molecular Formula: C9H14O3
• DSSTox Substance ID: DTXSID80517944
• Metabolomics Workbench ID: 58054
• Wikidata: Q27123130

Synonyms:7-methyl-3-oxooct-6-enoic acid;7-Methyl-3-oxooct-6-ensaeure;65180-53-2;7-Methyl-3-oxo-oct-6-ensaeure;7-methyl-3-oxo-6-octenoic acid;prenylacetoacetic acid;SCHEMBL11283084;CHEBI:52046;DTXSID80517944;Q27123130

Chemical Property of 7-Methyl-3-oxooct-6-enoic acid

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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