Dicetyl fumarate

Base Information

• Chemical Name: Dicetyl fumarate
• CAS No.: 16635-51-1
• Molecular Formula: C₃₆H₆₈O₄
• Molecular Weight: 564.934
• DSSTox Substance ID: DTXSID501023660,DTXSID801022504
• Nikkaji Number: J114.843E,J114.870B

Synonyms:dicetyl fumarate;SCHEMBL440515;SCHEMBL3134100;DTXSID501023660;DTXSID801022504;16635-51-1;2-Butenedioic acid (2E )-, 1,4-dihexadecyl ester

Chemical Property of Dicetyl fumarate

Chemical Property:

• XLogP3: 15.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 34
• Exact Mass: 564.51176065
• Heavy Atom Count: 40
• Complexity: 509

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)OCCCCCCCCCCCCCCCC

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