2-(5-hydroxy-1H-indol-3-yl)acetonitrile

Base Information

• Chemical Name: 2-(5-hydroxy-1H-indol-3-yl)acetonitrile
• CAS No.: 100929-86-0
• Molecular Formula: C10H8 N2 O
• Molecular Weight: 172.18332
• DSSTox Substance ID: DTXSID60408821
• Wikidata: Q82214428
• Mol file: 100929-86-0.mol

Synonyms:2-(5-hydroxy-1H-indol-3-yl)acetonitrile;100929-86-0;5-HYDROXYINDOLE-3-ACETONITRILE;1H-Indole-3-acetonitrile, 5-hydroxy-;SCHEMBL2004780;DTXSID60408821;SHKJOZJRCTYYNW-UHFFFAOYSA-N;AKOS006274091;EN300-1609124;Z1198149461

Chemical Property of 2-(5-hydroxy-1H-indol-3-yl)acetonitrile

Chemical Property:

• Boiling Point: 455.7±30.0 °C(Predicted)
• PKA: 9.78±0.40(Predicted)
• PSA: 59.81000
• Density: 1.361±0.06 g/cm3(Predicted)
• LogP: 1.93958
• Storage Temp.: 2-8°C
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 172.063662883
• Heavy Atom Count: 13
• Complexity: 232

Purity/Quality:

99% ^*data from raw suppliers

2-(5-Hydroxy-1H-indol-3-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1O)C(=CN2)CC#N

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