Tert-butyl 5-oxopentanoate

Base Information

• Chemical Name: Tert-butyl 5-oxopentanoate
• CAS No.: 192123-41-4
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• European Community (EC) Number: 818-402-7
• DSSTox Substance ID: DTXSID10445307
• Nikkaji Number: J2.219.530A
• Wikidata: Q82263673
• Mol file: 192123-41-4.mol

Synonyms:Tert-butyl 5-oxopentanoate;192123-41-4;Pentanoic acid, 5-oxo-, 1,1-dimethylethyl ester;5-oxopentanoic acid tert-butyl ester;SCHEMBL8223754;DTXSID10445307;AKOS015841368;FT-0658356;EN300-250752;A813543;A1-02023

Chemical Property of Tert-butyl 5-oxopentanoate

Chemical Property:

• PSA: 43.37000
• LogP: 1.69730
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-4-oxo-1,4-dihydroquinoline-6-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

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