Hept-3-ene-2,6-dione

Base Information

• Chemical Name: Hept-3-ene-2,6-dione
• CAS No.: 99809-46-8
• Molecular Formula: C7H10O2
• Molecular Weight: 126.1531
• DSSTox Substance ID: DTXSID80698949
• Mol file: 99809-46-8.mol

Synonyms:Hept-3-ene-2,6-dione;heptene-2,6-dione;99809-46-8;DTXSID80698949

Chemical Property of Hept-3-ene-2,6-dione

Chemical Property:

• PSA: 34.14000
• LogP: 1.11070
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 126.068079557
• Heavy Atom Count: 9
• Complexity: 145

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)CC=CC(=O)C