6-Heptenoic acid, 6-methyl-3-oxo-, methyl ester

Base Information

• Chemical Name: 6-Heptenoic acid, 6-methyl-3-oxo-, methyl ester
• CAS No.: 59529-68-9
• Molecular Formula: C9H14O3
• Molecular Weight: 170.208
• DSSTox Substance ID: DTXSID30462930
• Nikkaji Number: J2.044.394D
• Wikidata: Q82287574

Synonyms:59529-68-9;6-Heptenoic acid, 6-methyl-3-oxo-, methyl ester;DTXSID30462930

Chemical Property of 6-Heptenoic acid, 6-methyl-3-oxo-, methyl ester

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 170.094294304
• Heavy Atom Count: 12
• Complexity: 194

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

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

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