Tert-butyl 3-oxopentanoate

Base Information

• Chemical Name: Tert-butyl 3-oxopentanoate
• CAS No.: 33400-61-2
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• DSSTox Substance ID: DTXSID40457892
• Nikkaji Number: J2.216.602F
• Wikidata: Q82280937
• Mol file: 33400-61-2.mol

Synonyms:Tert-butyl 3-oxopentanoate;33400-61-2;Tert-butyl3-oxopentanoate;Pentanoic acid, 3-oxo-, 1,1-dimethylethyl ester;SCHEMBL182237;DTXSID40457892;AGFWFCUOAZIKPK-UHFFFAOYSA-N;3-Oxovaleric acid tert-butyl ester;FT-0715357;C91130;EN300-805008;A821760

Chemical Property of Tert-butyl 3-oxopentanoate

Chemical Property:

• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 177

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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