1,7-Octadien-3-one

Base Information

• Chemical Name: 1,7-Octadien-3-one
• CAS No.: 70855-06-0
• Molecular Formula: C8H12O
• Molecular Weight: 124.183
• DSSTox Substance ID: DTXSID70472992
• Nikkaji Number: J1.182.252E

Synonyms:1,7-octadien-3-one;Octa-1,7-dien-3-one;70855-06-0;SCHEMBL1072982;DTXSID70472992;NYVQBQSUDYSKAM-UHFFFAOYSA-N

Chemical Property of 1,7-Octadien-3-one

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 114

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCC(=O)C=C

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