Pentanoic acid, 3-chloro-4-oxo-, ethyl ester

Base Information

• Chemical Name: Pentanoic acid, 3-chloro-4-oxo-, ethyl ester
• CAS No.: 59865-89-3
• Molecular Formula: C₇H₁₁ClO₃
• Molecular Weight: 178.616
• DSSTox Substance ID: DTXSID60483658
• Nikkaji Number: J432.699G

Synonyms:59865-89-3;Pentanoic acid, 3-chloro-4-oxo-, ethyl ester;SCHEMBL4808766;DTXSID60483658

Chemical Property of Pentanoic acid, 3-chloro-4-oxo-, ethyl ester

Chemical Property:

• Boiling Point: 95-97 °C(Press: 12 Torr)
• PSA: 43.37000
• Density: 1.141±0.06 g/cm3(Predicted)
• LogP: 1.13600
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 178.0396719
• Heavy Atom Count: 11
• Complexity: 156

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C(=O)C)Cl

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