ChemSpider 2D Image | 9-(1,3-Benzodioxol-5-yl)-7,8-dimethyl-8,9-dihydronaphtho[1,2-d][1,3]dioxol-6(7H)-one | C20H18O5

9-(1,3-Benzodioxol-5-yl)-7,8-dimethyl-8,9-dihydronaphtho[1,2-d][1,3]dioxol-6(7H)-one

  • Molecular FormulaC20H18O5
  • Average mass338.354 Da
  • Monoisotopic mass338.115417 Da
  • ChemSpider ID35013242

More details:

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

9-(1,3-Benzodioxol-5-yl)-7,8-dimethyl-8,9-dihydronaphtho[1,2-d][1,3]dioxol-6(7H)-on [German] [ACD/IUPAC Name]
9-(1,3-Benzodioxol-5-yl)-7,8-dimethyl-8,9-dihydronaphtho[1,2-d][1,3]dioxol-6(7H)-one [ACD/IUPAC Name]
9-(1,3-Benzodioxol-5-yl)-7,8-diméthyl-8,9-dihydronaphto[1,2-d][1,3]dioxol-6(7H)-one [French] [ACD/IUPAC Name]
Naphtho[1,2-d]-1,3-dioxol-6(7H)-one, 9-(1,3-benzodioxol-5-yl)-8,9-dihydro-7,8-dimethyl- [ACD/Index Name]
1-Oxo-otobain
7-Oxootobain
9-(2H-1,3-benzodioxol-5-yl)-7,8-dimethyl-2H,7H,8H,9H-naphtho[1,2-d][1,3]dioxol-6-one
otobanone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 461.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 203.4±28.8 °C
Index of Refraction: 1.605
Molar Refractivity: 89.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 603.75
ACD/KOC (pH 5.5): 3405.18
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 603.75
ACD/KOC (pH 7.4): 3405.18
Polar Surface Area: 54 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 259.3±3.0 cm3

Click to predict properties on the Chemicalize site


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