ChemSpider 2D Image | 4-Formyl-3-hydroxy-8-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid | C17H12O8

4-Formyl-3-hydroxy-8-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid

  • Molecular FormulaC17H12O8
  • Average mass344.272 Da
  • Monoisotopic mass344.053223 Da
  • ChemSpider ID78435135

More details:

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

11H-Dibenzo[b,e][1,4]dioxepin-6-carboxylic acid, 4-formyl-3-hydroxy-8-methoxy-1-methyl-11-oxo- [ACD/Index Name]
4-Formyl-3-hydroxy-8-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-6-carbonsäure [German] [ACD/IUPAC Name]
4-Formyl-3-hydroxy-8-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid [ACD/IUPAC Name]
Acide 4-formyl-3-hydroxy-8-méthoxy-1-méthyl-11-oxo-11H-dibenzo[b,e][1,4]dioxépine-6-carboxylique [French] [ACD/IUPAC Name]
Subpsoromic acid

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

Density: 1.5±0.1 g/cm3
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 237.8±25.0 °C
Index of Refraction: 1.670
Molar Refractivity: 84.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.35
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 225.3±3.0 cm3

Click to predict properties on the Chemicalize site


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