3-Oxo-5-methylhexanoic acid

Base Information

• Chemical Name: 3-Oxo-5-methylhexanoic acid
• CAS No.: 131991-42-9
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• DSSTox Substance ID: DTXSID401023005
• Nikkaji Number: J1.084.442H

Synonyms:3-oxo-5-methylhexanoic acid;5-methyl-3-oxohexanoic acid;SCHEMBL17733;DTXSID401023005;AKOS006380932;131991-42-9

Chemical Property of 3-Oxo-5-methylhexanoic acid

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 138

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

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