5-Nitro-3-isoquinolinecarboxylic acid

Base Information

• Chemical Name: 5-Nitro-3-isoquinolinecarboxylic acid
• CAS No.: 80066-72-4
• Molecular Formula: C₁₀H₆N₂O₄
• Molecular Weight: 218.169
• DSSTox Substance ID: DTXSID701286238
• Mol file: 80066-72-4.mol

Synonyms:80066-72-4;5-nitroisoquinoline-3-carboxylic acid;5-Nitro-3-isoquinolinecarboxylic acid;3-Carboxy-5-nitroisoquinoline;SCHEMBL8541158;YLFNFIOMMHOGMA-UHFFFAOYSA-N;DTXSID701286238

Chemical Property of 5-Nitro-3-isoquinolinecarboxylic acid

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 218.03275668
• Heavy Atom Count: 16
• Complexity: 302

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=CN=C(C=C2C(=C1)[N+](=O)[O-])C(=O)O