2-Heptyn-1-one, 1-(2-thienyl)-

Base Information

• Chemical Name: 2-Heptyn-1-one, 1-(2-thienyl)-
• CAS No.: 30711-32-1
• Molecular Formula: C11H12OS
• Molecular Weight: 192.282
• DSSTox Substance ID: DTXSID30456571
• Nikkaji Number: J887.521I
• Wikidata: Q82279126
• Mol file: 30711-32-1.mol

Synonyms:2-Heptyn-1-one, 1-(2-thienyl)-;30711-32-1;DTXSID30456571;1-(2-Thienyl)-2-heptyn-1-one

Chemical Property of 2-Heptyn-1-one, 1-(2-thienyl)-

Chemical Property:

• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 192.06088618
• Heavy Atom Count: 13
• Complexity: 233

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC#CC(=O)C1=CC=CS1