Heptanoic acid, 3-oxo-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Heptanoic acid, 3-oxo-, 1,1-dimethylethyl ester
• CAS No.: 66696-98-8
• Molecular Formula: C11H20O3
• Molecular Weight: 200.278
• DSSTox Substance ID: DTXSID60460863
• Nikkaji Number: J1.992.216B
• Wikidata: Q82285022
• Mol file: 66696-98-8.mol

Synonyms:66696-98-8;tert-Butyl pentanoylacetate;Tert-butyl 3-oxoheptanoate;Heptanoic acid, 3-oxo-, 1,1-dimethylethyl ester;tert-Butylpentanoylacetate;SCHEMBL14604888;DTXSID60460863;CS-0434283;F78936

Chemical Property of Heptanoic acid, 3-oxo-, 1,1-dimethylethyl ester

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 200.14124450
• Heavy Atom Count: 14
• Complexity: 201

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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