11-bromoundec-10-ynoic Acid

Base Information

• Chemical Name: 11-bromoundec-10-ynoic Acid
• CAS No.: 13030-63-2
• Molecular Formula: C11H17BrO2
• Molecular Weight: 261.159
• DSSTox Substance ID: DTXSID90399450
• Wikidata: Q82202031
• Mol file: 13030-63-2.mol

Synonyms:11-bromoundec-10-ynoic Acid;11-bromo-10-undecynoic acid;13030-63-2;SCHEMBL7823209;DTXSID90399450;QLHALQHHPFSYOE-UHFFFAOYSA-N;AKOS021984243

Chemical Property of 11-bromoundec-10-ynoic Acid

Chemical Property:

• Melting Point: 46-47.5 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 360.5±44.0 °C(Predicted)
• PKA: 4.78±0.10(Predicted)
• PSA: 37.30000
• Density: 1.297±0.06 g/cm3(Predicted)
• LogP: 3.54760
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 260.04119
• Heavy Atom Count: 14
• Complexity: 212

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCCCC(=O)O)CCCC#CBr