3-(1H-Indol-4-YL)propanoic acid

Base Information

• Chemical Name: 3-(1H-Indol-4-YL)propanoic acid
• CAS No.: 65690-95-1
• Molecular Formula: C11H11NO2
• Molecular Weight: 189.21100
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30495889
• Wikidata: Q82344300
• Mol file: 65690-95-1.mol

Synonyms:3-(1H-INDOL-4-YL)PROPANOIC ACID;65690-95-1;DTXSID30495889;AKOS006309227;A1-08721

Chemical Property of 3-(1H-Indol-4-YL)propanoic acid

Chemical Property:

• Vapor Pressure: 1.01E-07mmHg at 25°C
• Melting Point: 159-160 °C
• Boiling Point: 417.6oC at 760 mmHg
• PKA: 4?+-.0.10(Predicted)
• Flash Point: 206.4oC
• PSA: 53.09000
• Density: 1.297g/cm3
• LogP: 2.18510
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 189.078978594
• Heavy Atom Count: 14
• Complexity: 217

Purity/Quality:

99%min ^*data from raw suppliers

3-(1H-Indol-4-yl)propanoic acid 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=CNC2=C1)CCC(=O)O