Pentanoic acid, 2-acetyl-3-oxo-, ethyl ester

Base Information

• Chemical Name: Pentanoic acid, 2-acetyl-3-oxo-, ethyl ester
• CAS No.: 17448-81-6
• Molecular Formula: C9H14O4
• Molecular Weight: 186.208
• DSSTox Substance ID: DTXSID70499088

Synonyms:Pentanoic acid,2-acetyl-3-oxo-,ethyl ester;2-Propionyl-acetessigsaeure-ethylester;2-acetyl-3-oxo-valeric acid ethyl ester;2-Acetyl-3-oxo-valeriansaeure-aethylester;

Chemical Property of Pentanoic acid, 2-acetyl-3-oxo-, ethyl ester

Chemical Property:

• PSA: 60.44000
• LogP: 0.73380
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 186.08920892
• Heavy Atom Count: 13
• Complexity: 220

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

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

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