ChemSpider 2D Image | 6,7,8-Trimethoxy-1,4-dimethyl-2(1H)-quinolinone | C14H17NO4

6,7,8-Trimethoxy-1,4-dimethyl-2(1H)-quinolinone

  • Molecular FormulaC14H17NO4
  • Average mass263.289 Da
  • Monoisotopic mass263.115753 Da
  • ChemSpider ID24704709

More details:






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

2(1H)-Quinolinone, 6,7,8-trimethoxy-1,4-dimethyl- [ACD/Index Name]
6,7,8-Trimethoxy-1,4-dimethyl-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6,7,8-Triméthoxy-1,4-diméthyl-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6,7,8-Trimethoxy-1,4-dimethyl-2(1H)-quinolinone [ACD/IUPAC Name]
6,7,8-Trimethoxy-1,4-Dimethylquinolin-2(1h)-One
casimiroin analogue, 1n
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL492382/
VAP

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

Density: 1.2±0.1 g/cm3
Boiling Point: 399.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.0±3.0 kJ/mol
Flash Point: 195.1±27.9 °C
Index of Refraction: 1.539
Molar Refractivity: 71.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 9.03
ACD/KOC (pH 5.5): 168.09
ACD/LogD (pH 7.4): 1.56
ACD/BCF (pH 7.4): 9.03
ACD/KOC (pH 7.4): 168.12
Polar Surface Area: 48 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 227.1±3.0 cm3

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