4-(Acetyloxy)-5-methyl-1-isoquinolinecarboxaldehyde

Base Information

• Chemical Name: 4-(Acetyloxy)-5-methyl-1-isoquinolinecarboxaldehyde
• CAS No.: 171880-38-9
• Molecular Formula: C₁₃H₁₁NO₃
• Molecular Weight: 229.235
• DSSTox Substance ID: DTXSID701223357
• Mol file: 171880-38-9.mol

Synonyms:DTXSID701223357;4-(Acetyloxy)-5-methyl-1-isoquinolinecarboxaldehyde;171880-38-9

Chemical Property of 4-(Acetyloxy)-5-methyl-1-isoquinolinecarboxaldehyde

Chemical Property:

• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 229.07389321
• Heavy Atom Count: 17
• Complexity: 305

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C(=NC=C2OC(=O)C)C=O