1,9,16-Heptadecatriene-4,6-diyne-3,8-diol

Base Information

• Chemical Name: 1,9,16-Heptadecatriene-4,6-diyne-3,8-diol
• CAS No.: 63898-22-6
• Molecular Formula: C17H22O2
• Molecular Weight: 258.35538
• NSC Number: 692925
• Wikidata: Q105194149
• Metabolomics Workbench ID: 135822
• ChEMBL ID: CHEMBL459266
• Mol file: 63898-22-6.mol

Synonyms:1,9,16-heptadecatriene-4,6-diyne-3,8-diol

Chemical Property of 1,9,16-Heptadecatriene-4,6-diyne-3,8-diol

Chemical Property:

• Vapor Pressure: 2.78E-09mmHg at 25°C
• Boiling Point: 432.2°C at 760 mmHg
• Flash Point: 199.2°C
• PSA: 40.46000
• Density: 1.011g/cm³
• LogP: 2.59370
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 9
• Exact Mass: 258.161979940
• Heavy Atom Count: 19
• Complexity: 419

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCCCCCC=CC(C#CC#CC(C=C)O)O
• Isomeric SMILES: C=CCCCCC/C=C\[C@@H](C#CC#C[C@H](C=C)O)O

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