3-Ethyl-4-methyl-1(2H)-isoquinolinone

Base Information

• Chemical Name: 3-Ethyl-4-methyl-1(2H)-isoquinolinone
• CAS No.: 80031-03-4
• Molecular Formula: C12H13NO
• DSSTox Substance ID: DTXSID701285959
• Nikkaji Number: J3.396.896E

Synonyms:80031-03-4;3-Ethyl-4-methyl-1(2H)-isoquinolinone;SCHEMBL10229091;DTXSID701285959

Chemical Property of 3-Ethyl-4-methyl-1(2H)-isoquinolinone

Chemical Property:

• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 187.099714038
• Heavy Atom Count: 14
• Complexity: 280

Purity/Quality:

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MSDS Files:

Useful:

• Canonical SMILES: CCC1=C(C2=CC=CC=C2C(=O)N1)C

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