Propanoic acid, 2,2-dimethyl-3-oxo-, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Propanoic acid, 2,2-dimethyl-3-oxo-, 1,1-dimethylethyl ester
• CAS No.: 113437-29-9
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• European Community (EC) Number: 966-301-2
• DSSTox Substance ID: DTXSID70470918
• Nikkaji Number: J2.046.775D
• Wikidata: Q82299130
• Mol file: 113437-29-9.mol

Synonyms:113437-29-9;Propanoic acid, 2,2-dimethyl-3-oxo-, 1,1-dimethylethyl ester;TERT-BUTYL 2,2-DIMETHYL-3-OXOPROPANOATE;SCHEMBL320537;DTXSID70470918;EN300-7898484

Chemical Property of Propanoic acid, 2,2-dimethyl-3-oxo-, 1,1-dimethylethyl ester

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

99% ，98% ^*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)C(C)(C)C=O

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