6-Octenoic acid, 7-methyl-3-oxo-, ethyl ester

Base Information

• Chemical Name: 6-Octenoic acid, 7-methyl-3-oxo-, ethyl ester
• CAS No.: 5248-18-0
• Molecular Formula: C11H18O3
• Molecular Weight: 198.262
• DSSTox Substance ID: DTXSID20441037
• Nikkaji Number: J1.775.750D
• Mol file: 5248-18-0.mol

Synonyms:6-Octenoic acid, 7-methyl-3-oxo-, ethyl ester;5248-18-0;ethyl prenylacetoacetate;SCHEMBL3406329;DTXSID20441037;YDLJTGXFDPPQJR-UHFFFAOYSA-N;ethyl 7-methyl-3-oxo-6-octenoate;3-Oxo-7-methyl-6-octenoic acid ethyl ester

Chemical Property of 6-Octenoic acid, 7-methyl-3-oxo-, ethyl ester

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 198.125594432
• Heavy Atom Count: 14
• Complexity: 225

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

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

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