ChemSpider 2D Image | 7,8-Dimethoxy-1,4-dimethyl-2(1H)-quinolinone | C13H15NO3

7,8-Dimethoxy-1,4-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC13H15NO3
  • Average mass233.263 Da
  • Monoisotopic mass233.105194 Da
  • ChemSpider ID24688586

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2(1H)-Quinolinone, 7,8-dimethoxy-1,4-dimethyl- [ACD/Index Name]
7,8-Dimethoxy-1,4-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
7,8-Diméthoxy-1,4-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
7,8-Dimethoxy-1,4-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]
7,8-Dimethoxy-1,4-Dimethylquinolin-2(1h)-One
casimiroin analogue, 1h
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL453233/
YTR

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 349.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.4±3.0 kJ/mol
Flash Point: 165.2±27.9 °C
Index of Refraction: 1.548
Molar Refractivity: 64.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.97
ACD/LogD (pH 5.5): 1.53
ACD/BCF (pH 5.5): 8.54
ACD/KOC (pH 5.5): 161.58
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.54
ACD/KOC (pH 7.4): 161.59
Polar Surface Area: 39 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 203.1±3.0 cm3

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