Tert-butyl 3-oxohept-6-enoate

Base Information

• Chemical Name: Tert-butyl 3-oxohept-6-enoate
• CAS No.: 87894-21-1
• Molecular Formula: C11H18O3
• Molecular Weight: 198.262
• DSSTox Substance ID: DTXSID70444694
• Nikkaji Number: J1.104.058F
• Wikidata: Q82262921

Synonyms:Tert-butyl 3-oxohept-6-enoate;87894-21-1;6-Heptenoic acid, 3-oxo-, 1,1-dimethylethyl ester;DTXSID70444694;3-Oxo-6-heptenoic acid tert-butyl ester;A903931

Chemical Property of Tert-butyl 3-oxohept-6-enoate

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 198.125594432
• Heavy Atom Count: 14
• Complexity: 223

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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