diundecyl (Z)-but-2-enedioate

Base Information

• Chemical Name: diundecyl (Z)-but-2-enedioate
• CAS No.: 6280-06-4
• Molecular Formula: C26H48O4
• Molecular Weight: 424.66
• NSC Number: 11042
• DSSTox Substance ID: DTXSID40417799
• Wikidata: Q82227981
• Mol file: 6280-06-4.mol

Synonyms:NSC11042;6280-06-4;SCHEMBL1305376;DTXSID40417799;NSC-11042

Chemical Property of diundecyl (Z)-but-2-enedioate

Chemical Property:

• Vapor Pressure: 5.06E-10mmHg at 25°C
• Refractive Index: 1.462
• Boiling Point: 497.2 °C at 760 mmHg
• Flash Point: 233.5 °C
• PSA: 52.60000
• Density: 0.926 g/cm³
• LogP: 7.69060
• XLogP3: 10.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 24
• Exact Mass: 424.35526001
• Heavy Atom Count: 30
• Complexity: 379

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCC
• Isomeric SMILES: CCCCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCCCC

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