Pentanoic acid, 5-chloro-4-oxo-, ethyl ester

Base Information

• Chemical Name: Pentanoic acid, 5-chloro-4-oxo-, ethyl ester
• CAS No.: 14594-24-2
• Molecular Formula: C7H11ClO3
• Molecular Weight: 178.616
• European Community (EC) Number: 832-268-7
• DSSTox Substance ID: DTXSID70457901
• Nikkaji Number: J432.704G
• Wikidata: Q82280953
• Mol file: 14594-24-2.mol

Synonyms:ethyl 5-chloro-4-oxopentanoate;14594-24-2;Pentanoic acid, 5-chloro-4-oxo-, ethyl ester;ethyl5-chloro-4-oxopentanoate;SCHEMBL4811104;DTXSID70457901;5-Chloro-4-oxovaleric acid ethyl ester;EN300-177417

Chemical Property of Pentanoic acid, 5-chloro-4-oxo-, ethyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 1.13760
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 178.0396719
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

ethyl5-chloro-4-oxopentanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CCC(=O)CCl