(2S)-5-oxo-2-propan-2-ylhexanal

Base Information

• Chemical Name: (2S)-5-oxo-2-propan-2-ylhexanal
• CAS No.: 57213-53-3
• Molecular Formula: C9H16O2
• Molecular Weight: 156.22200
• DSSTox Substance ID: DTXSID00462563
• Nikkaji Number: J1.913.983B
• Wikidata: Q82287112

Synonyms:CTK1F2622;57213-53-3;DTXSID00462563

Chemical Property of (2S)-5-oxo-2-propan-2-ylhexanal

Chemical Property:

• Boiling Point: 236.0±23.0 °C(Predicted)
• PSA: 34.14000
• Density: 0.906±0.06 g/cm3(Predicted)
• LogP: 1.82670
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 156.115029749
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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