4-Ethynylisoquinoline

Base Information

• Chemical Name: 4-Ethynylisoquinoline
• CAS No.: 78593-42-7
• Molecular Formula: C11H7N
• Molecular Weight: 153.183
• DSSTox Substance ID: DTXSID10506583
• Nikkaji Number: J929.218G
• Wikidata: Q82362400

Synonyms:4-ethynylisoquinoline;78593-42-7;SCHEMBL4062748;DTXSID10506583;AKOS013253330;CS-0308486;EN300-1222597;A865006;A1-29573;F2167-2853;Z1172376608

Chemical Property of 4-Ethynylisoquinoline

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 153.057849228
• Heavy Atom Count: 12
• Complexity: 200

Purity/Quality:

97% ^*data from raw suppliers

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CC1=CN=CC2=CC=CC=C21

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