Butanoic acid, 4-oxo-, 1-methylethyl ester

Base Information

• Chemical Name: Butanoic acid, 4-oxo-, 1-methylethyl ester
• CAS No.: 61720-57-8
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• DSSTox Substance ID: DTXSID00475597
• Nikkaji Number: J2.392.139A
• Wikidata: Q82306225

Synonyms:Butanoic acid, 4-oxo-, 1-methylethyl ester;61720-57-8;SCHEMBL8750063;ISOPROPYL 4-OXOBUTANOATE;DTXSID00475597

Chemical Property of Butanoic acid, 4-oxo-, 1-methylethyl ester

Chemical Property:

• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 118

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(=O)CCC=O

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