Methyl 6-methyl-3-oxoheptanoate

Base Information

• Chemical Name: Methyl 6-methyl-3-oxoheptanoate
• CAS No.: 104214-14-4
• Molecular Formula: C9H16O3
• Molecular Weight: 172.224
• DSSTox Substance ID: DTXSID00432509
• Nikkaji Number: J2.748.716E

Synonyms:methyl 6-methyl-3-oxoheptanoate;104214-14-4;Heptanoic acid, 6-methyl-3-oxo-, methyl ester;methyl6-methyl-3-oxoheptanoate;SCHEMBL3959521;DTXSID00432509;AB7550;MFCD16620967;3-Oxo-6-methylheptanoic acid methyl ester

Chemical Property of Methyl 6-methyl-3-oxoheptanoate

Chemical Property:

• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 161

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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