ChemSpider 2D Image | 2-(1,3-Benzodioxol-5-yl)-1,2-dihydro-4H-thieno[2,3-c]chromen-4-one | C18H12O4S

2-(1,3-Benzodioxol-5-yl)-1,2-dihydro-4H-thieno[2,3-c]chromen-4-one

  • Molecular FormulaC18H12O4S
  • Average mass324.350 Da
  • Monoisotopic mass324.045624 Da
  • ChemSpider ID22179005

More details:

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

2-(1,3-Benzodioxol-5-yl)-1,2-dihydro-4H-thieno[2,3-c]chromen-4-on [German] [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-1,2-dihydro-4H-thieno[2,3-c]chromen-4-one [ACD/IUPAC Name]
2-(1,3-Benzodioxol-5-yl)-1,2-dihydro-4H-thiéno[2,3-c]chromén-4-one [French] [ACD/IUPAC Name]
4H-Thieno[2,3-c][1]benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-1,2-dihydro- [ACD/Index Name]
2-(1,3-Benzodioxol-5-yl)-1,2-dihydro-4H-thieno[2,3-c]chromen-4-on
2-(2H-1,3-benzodioxol-5-yl)-1H,2H,4H-thieno[2,3-c]chromen-4-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 286.4±18.1 °C
Index of Refraction: 1.736
Molar Refractivity: 85.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 545.20
ACD/KOC (pH 5.5): 3165.41
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 545.20
ACD/KOC (pH 7.4): 3165.41
Polar Surface Area: 70 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 213.8±5.0 cm3

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