Hexanoic acid, 3-methyl-6-oxo-, ethyl ester, (R)-

Base Information

• Chemical Name: Hexanoic acid, 3-methyl-6-oxo-, ethyl ester, (R)-
• CAS No.: 84567-91-9
• Molecular Formula: C9H16O3
• Molecular Weight: 172.22200
• DSSTox Substance ID: DTXSID10477421
• Wikidata: Q82309968

Synonyms:84567-91-9;Hexanoic acid, 3-methyl-6-oxo-, ethyl ester, (R)-;SCHEMBL18735901;DTXSID10477421;(R)-Ethyl 3-methyl-6-oxohexanoate;Ethyl (R)-3-methyl-6-oxohexanoate;CS-0437335

Chemical Property of Hexanoic acid, 3-methyl-6-oxo-, ethyl ester, (R)-

Chemical Property:

• PSA: 43.37000
• LogP: 1.55480
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 172.109944368
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC(C)CCC=O
• Isomeric SMILES: CCOC(=O)C[C@H](C)CCC=O

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