4-Methyl-5-oxohexanoic acid

Base Information

• Chemical Name: 4-Methyl-5-oxohexanoic acid
• CAS No.: 6818-07-1
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• European Community (EC) Number: 829-758-8
• DSSTox Substance ID: DTXSID80385180
• Nikkaji Number: J1.680.152F

Synonyms:4-methyl-5-oxohexanoic acid;6818-07-1;Hexanoic acid, 4-methyl-5-oxo-;starbld0037654;SCHEMBL2344610;DTXSID80385180;IEHMHYAHHVRZIF-UHFFFAOYSA-N;AKOS006376235;3-methyl-4-oxopentane-1-carboxylic acid;3-methyl-4-oxo-pentane-1-carboxylic acid;CS-0253545;EN300-6468985

Chemical Property of 4-Methyl-5-oxohexanoic acid

Chemical Property:

• PSA: 54.37000
• LogP: 1.07630
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

4-Methyl-5-oxohexanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CCC(=O)O)C(=O)C
• Uses: 4-Methyl-5-oxohexanoic Acid is used in the preparation of β-carbolines via diastereo and enantioselective Bronsted acid catalyzed N-acyliminium cyclization cascades of tryptamines and keto acids/esters.

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