8-Hydroxy-3,4-dihydroisoquinolin-1(2H)-one

Base Information

• Chemical Name: 8-Hydroxy-3,4-dihydroisoquinolin-1(2H)-one
• CAS No.: 135329-20-3
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.17
• European Community (EC) Number: 847-462-7
• DSSTox Substance ID: DTXSID40694563
• Nikkaji Number: J413.027H
• Wikidata: Q82623719
• Mol file: 135329-20-3.mol

Synonyms:135329-20-3;8-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one;8-Hydroxy-3,4-dihydroisoquinolin-1(2H)-one;8-hydroxy-1,2,3,4-tetrahydroisoquinolin-1-one;SCHEMBL11774273;DTXSID40694563;AKOS006303937;SB32988;CS-0342523;FT-0650686;A806921

Chemical Property of 8-Hydroxy-3,4-dihydroisoquinolin-1(2H)-one

Chemical Property:

• Boiling Point: 477.1±45.0 °C(Predicted)
• PKA: 8.49±0.20(Predicted)
• PSA: 52.82000
• Density: 1.282±0.06 g/cm3(Predicted)
• LogP: 0.68850
• Storage Temp.: 2-8°C
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

98.5% ^*data from raw suppliers

8-Hydroxy-3,4-dihydro-2H-isoquinolin-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)C2=C1C=CC=C2O