2,2-Dimethylpropyl 3-oxobutanoate

Base Information

• Chemical Name: 2,2-Dimethylpropyl 3-oxobutanoate
• CAS No.: 13562-79-3
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• DSSTox Substance ID: DTXSID201241310
• Nikkaji Number: J1.013.705E
• Mol file: 13562-79-3.mol

Synonyms:13562-79-3;SCHEMBL2059154;DTXSID201241310;Butanoic acid, 3-oxo-, 2,2-dimethylpropyl ester

Chemical Property of 2,2-Dimethylpropyl 3-oxobutanoate

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 177

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MSDS Files:

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• Canonical SMILES: CC(=O)CC(=O)OCC(C)(C)C

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