Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 4-[2-(4-propylphenyl)ethynyl]phenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 4-[2-(4-propylphenyl)ethynyl]phenyl ester
• CAS No.: 289478-40-6
• Molecular Formula: C33H34O5
• Molecular Weight: 510.6
• DSSTox Substance ID: DTXSID301338112
• Mol file: 289478-40-6.mol

Synonyms:SCHEMBL17147727;DTXSID301338112;289478-40-6;Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 4-[2-(4-propylphenyl)ethynyl]phenyl ester

Chemical Property of Benzoic acid, 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]-, 4-[2-(4-propylphenyl)ethynyl]phenyl ester

Chemical Property:

• XLogP3: 8.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 17
• Exact Mass: 510.24062418
• Heavy Atom Count: 38
• Complexity: 768

Purity/Quality:

98% ^*data from raw suppliers

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MSDS Files:

Useful:

• Canonical SMILES: CCCC1=CC=C(C=C1)C#CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCOC(=O)C=C

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