ChemSpider 2D Image | 6,9-Dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one | C12H11NO3

6,9-Dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one

  • Molecular FormulaC12H11NO3
  • Average mass217.221 Da
  • Monoisotopic mass217.073898 Da
  • ChemSpider ID24705226

More details:

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

1,3-Dioxolo[4,5-h]quinolin-8(9H)-one, 6,9-dimethyl- [ACD/Index Name]
6,9-Dimethyl[1,3]dioxolo[4,5-h]chinolin-8(9H)-on [German] [ACD/IUPAC Name]
6,9-Diméthyl[1,3]dioxolo[4,5-h]quinoléin-8(9H)-one [French] [ACD/IUPAC Name]
6,9-Dimethyl[1,3]dioxolo[4,5-h]quinolin-8(9H)-one [ACD/IUPAC Name]
1137557-69-7 [RN]
A2Z
casimiroin analogue, 1b
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL492763/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 334.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 155.8±27.9 °C
Index of Refraction: 1.605
Molar Refractivity: 57.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.79
ACD/BCF (pH 5.5): 13.57
ACD/KOC (pH 5.5): 225.02
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 13.57
ACD/KOC (pH 7.4): 225.03
Polar Surface Area: 39 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 166.3±3.0 cm3

Click to predict properties on the Chemicalize site


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