4-Acetylisoquinolin-1(2H)-one

Base Information

• Chemical Name: 4-Acetylisoquinolin-1(2H)-one
• CAS No.: 87275-00-1
• Molecular Formula: C11H9NO2
• Molecular Weight: 187.19466
• DSSTox Substance ID: DTXSID50519475
• Wikidata: Q82382688

Synonyms:4-Acetylisoquinolin-1(2H)-one;87275-00-1;4-acetyl-1,2-dihydroisoquinolin-1-one;4-acetyl isoquinolinone;SCHEMBL10372680;DTXSID50519475;ALQFTBSPRXKAAU-UHFFFAOYSA-N

Chemical Property of 4-Acetylisoquinolin-1(2H)-one

Chemical Property:

• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 187.063328530
• Heavy Atom Count: 14
• Complexity: 306

Purity/Quality:

95+% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CNC(=O)C2=CC=CC=C21

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