5-(3-(Hydroxymethyl)phenyl)furan-2-carbonitrile

Base Information

• Chemical Name: 5-(3-(Hydroxymethyl)phenyl)furan-2-carbonitrile
• CAS No.: 906665-08-5
• Molecular Formula: C12H9NO2
• Molecular Weight: 199.21
• DSSTox Substance ID: DTXSID40698849
• Wikidata: Q82629366
• Mol file: 906665-08-5.mol

Synonyms:1349716-35-3;5-(3-(Hydroxymethyl)phenyl)furan-2-carbonitrile;5-[3-(hydroxymethyl)phenyl]furan-2-carbonitrile;3-(5-CYANOFURAN-2-YL)BENZYL ALCOHOL;DTXSID40698849

Chemical Property of 5-(3-(Hydroxymethyl)phenyl)furan-2-carbonitrile

Chemical Property:

• Boiling Point: 378.0±42.0 °C(Predicted)
• PKA: 14.25±0.10(Predicted)
• PSA: 57.16000
• Density: 1.27±0.1 g/cm3(Predicted)
• LogP: 2.31058
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 199.063328530
• Heavy Atom Count: 15
• Complexity: 258

Purity/Quality:

5-(4-(Hydroxymethyl)phenyl)furan-2-carbonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C2=CC=C(O2)C#N)CO

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