ChemSpider 2D Image | 9,10-Dihydroxy-8-methoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carboxylic acid | C17H14O8

9,10-Dihydroxy-8-methoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carboxylic acid

  • Molecular FormulaC17H14O8
  • Average mass346.288 Da
  • Monoisotopic mass346.068878 Da
  • ChemSpider ID23342207

  • Double-bond stereo - Double-bond stereo

More details:

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1H,6H-Pyrano[4,3-c][2]benzopyran-7-carboxylic acid, 9,10-dihydroxy-8-methoxy-1-oxo-3-[(1E)-1-propen-1-yl]- [ACD/Index Name]
9,10-Dihydroxy-8-methoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromen-7-carbonsäure [German] [ACD/IUPAC Name]
9,10-Dihydroxy-8-methoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carboxylic acid [ACD/IUPAC Name]
Acide 9,10-dihydroxy-8-méthoxy-1-oxo-3-[(1E)-1-propén-1-yl]-1H,6H-pyrano[4,3-c]isochromène-7-carboxylique [French] [ACD/IUPAC Name]
9,10-dihydroxy-8-methoxy-1-oxo-3-(prop-1-enyl)-1,6-dihydropyrano[4,3-c]isochromene-7-carboxylic acid
9,10-dihydroxy-8-methoxy-1-oxo-3-[(1E)-prop-1-en-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carboxylic acid
CYATHUSCAVIN A
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL519622/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 677.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 252.9±25.0 °C
Index of Refraction: 1.697
Molar Refractivity: 82.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.38
ACD/LogD (pH 7.4): -0.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 84.3±5.0 dyne/cm
Molar Volume: 214.6±5.0 cm3

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