(3Z,6Z)-2H-Oxocine-2,5,8-trione

Base Information

• Chemical Name: (3Z,6Z)-2H-Oxocine-2,5,8-trione
• CAS No.: 61171-67-3
• Molecular Formula: C7H4O4
• Molecular Weight: 152.10400
• DSSTox Substance ID: DTXSID90515077
• Mol file: 61171-67-3.mol

Synonyms:61171-67-3;(3Z,6Z)-2H-Oxocine-2,5,8-trione;DTXSID90515077

Chemical Property of (3Z,6Z)-2H-Oxocine-2,5,8-trione

Chemical Property:

• Melting Point: 102-103 °C
• Boiling Point: 288.2±29.0 °C(Predicted)
• PSA: 64.35000
• Density: 1.394±0.06 g/cm3(Predicted)
• LogP: -0.63980
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 152.01095860
• Heavy Atom Count: 11
• Complexity: 246

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=O)OC(=O)C=CC1=O