3-Hydroxyisoquinoline-6-carboxylic acid

Base Information

• Chemical Name: 3-Hydroxyisoquinoline-6-carboxylic acid
• CAS No.: 1337880-39-3
• Molecular Formula: C10H7NO3
• Molecular Weight: 189.17
• Mol file: 1337880-39-3.mol

Synonyms:3-hydroxyisoquinoline-6-carboxylic acid;1337880-39-3;3-Oxo-2H-isoquinoline-6-carboxylic acid;3-hydroxyisoquinoline-6-carboxylicacid;AT32111;EN300-322117

Chemical Property of 3-Hydroxyisoquinoline-6-carboxylic acid

Chemical Property:

• PKA: 3.94±0.20(Predicted)
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 189.042593085
• Heavy Atom Count: 14
• Complexity: 438

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC2=CNC(=O)C=C2C=C1C(=O)O

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