(1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione

Base Information

• Chemical Name: (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione
• CAS No.: 160096-60-6
• Molecular Formula: C21H16 O6
• NSC Number: 666298
• DSSTox Substance ID: DTXSID501177659
• Nikkaji Number: J745.490B,J762.878A
• ChEMBL ID: CHEMBL1979185
• Mol file: 160096-60-6.mol

Synonyms:(1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione;NSC666298;CHEMBL1979185;SCHEMBL17691541;DTXSID501177659;NSC-666298;1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione;160096-60-6

Chemical Property of (1E,6E)-1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione

Chemical Property:

• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 364.09468823
• Heavy Atom Count: 27
• Complexity: 560

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC(=O)C=CC3=CC4=C(C=C3)OCO4
• Isomeric SMILES: C1OC2=C(O1)C=CC(=C2)/C=C/C(=O)CC(=O)/C=C/C3=CC4=C(OCO4)C=C3