2-(Isoquinolin-7-yl)acetic acid

Base Information

• Chemical Name: 2-(Isoquinolin-7-yl)acetic acid
• CAS No.: 188111-64-0
• Molecular Formula: C11H9NO2
• Molecular Weight: 187.19
• DSSTox Substance ID: DTXSID40475915
• Wikidata: Q82306739
• Mol file: 188111-64-0.mol

Synonyms:2-(isoquinolin-7-yl)acetic acid;188111-64-0;2-isoquinolin-7-ylacetic acid;7-Isoquinolineacetic acid;Isoquinolin-7-yl-acetic acid;2-(Isoquinolin-7-yl)aceticacid;SCHEMBL923547;DTXSID40475915;AKOS015897044;CS-0270746;FT-0731138;EN300-2668439

Chemical Property of 2-(Isoquinolin-7-yl)acetic acid

Chemical Property:

• PKA: 3.74±0.30(Predicted)
• Storage Temp.: 2-8°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 187.063328530
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

98.5% ^*data from raw suppliers

2-(Isoquinolin-7-yl)aceticacid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC2=C1C=CN=C2)CC(=O)O