3-(Isoquinolin-1-YL)propanoic acid

Base Information

• Chemical Name: 3-(Isoquinolin-1-YL)propanoic acid
• CAS No.: 344334-31-2
• Molecular Formula: C12H11NO2
• Molecular Weight: 201.22
• DSSTox Substance ID: DTXSID80518097
• Wikidata: Q82380534
• Mol file: 344334-31-2.mol

Synonyms:3-(ISOQUINOLIN-1-YL)PROPANOIC ACID;344334-31-2;SCHEMBL7759001;DTXSID80518097;AKOS015966446;EN300-1457271

Chemical Property of 3-(Isoquinolin-1-YL)propanoic acid

Chemical Property:

• Vapor Pressure: 5.49E-07mmHg at 25°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 201.078978594
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

99%min ^*data from raw suppliers

3-(ISOQUINOLIN-1-YL)PROPANOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C=CN=C2CCC(=O)O