ChemSpider 2D Image | 1,3-Dihydro-1,4-dihydroxy-5-(hydroxymethyl)-10-methoxy-8-methyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde | C19H14O10

1,3-Dihydro-1,4-dihydroxy-5-(hydroxymethyl)-10-methoxy-8-methyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde

  • Molecular FormulaC19H14O10
  • Average mass402.309 Da
  • Monoisotopic mass402.058685 Da
  • ChemSpider ID95797318

More details:

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

1,3-Dihydro-1,4-dihydroxy-5-(hydroxymethyl)-10-methoxy-8-methyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde
1,4-Dihydroxy-5-(hydroxymethyl)-10-methoxy-8-methyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]inden-11-carbaldehyd [German] [ACD/IUPAC Name]
1,4-Dihydroxy-5-(hydroxymethyl)-10-methoxy-8-methyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indene-11-carbaldehyde [ACD/IUPAC Name]
1,4-Dihydroxy-5-(hydroxyméthyl)-10-méthoxy-8-méthyl-3,7-dioxo-1,3-dihydro-7H-2,6,12-trioxabenzo[5,6]cyclohepta[1,2-e]indène-11-carbaldéhyde [French] [ACD/IUPAC Name]
30287-05-9 [RN]
7H-2,6,12-Trioxabenzo[5,6]cyclohept[1,2-e]indene-11-carboxaldehyde, 1,3-dihydro-1,4-dihydroxy-5-(hydroxymethyl)-10-methoxy-8-methyl-3,7-dioxo- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 756.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 276.3±26.4 °C
Index of Refraction: 1.717
Molar Refractivity: 94.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.08
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.40
ACD/KOC (pH 5.5): 44.19
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 41.41
Polar Surface Area: 149 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 86.4±3.0 dyne/cm
Molar Volume: 240.2±3.0 cm3

Click to predict properties on the Chemicalize site


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