ChemSpider 2D Image | 9,10-Dihydroxy-6,8-dimethoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carboxylic acid | C18H16O9

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

  • Molecular FormulaC18H16O9
  • Average mass376.314 Da
  • Monoisotopic mass376.079437 Da
  • ChemSpider ID23342208

  • Double-bond stereo - Double-bond stereo

More details:

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

1H,6H-Pyrano[4,3-c][2]benzopyran-7-carboxylic acid, 9,10-dihydroxy-6,8-dimethoxy-1-oxo-3-[(1E)-1-propen-1-yl]- [ACD/Index Name]
9,10-Dihydroxy-6,8-dimethoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromen-7-carbonsäure [German] [ACD/IUPAC Name]
9,10-Dihydroxy-6,8-dimethoxy-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-6,8-diméthoxy-1-oxo-3-[(1E)-1-propén-1-yl]-1H,6H-pyrano[4,3-c]isochromène-7-carboxylique [French] [ACD/IUPAC Name]
9,10-dihydroxy-6,8-dimethoxy-1-oxo-3-(prop-1-enyl)-1,6-dihydropyrano[4,3-c]isochromene-7-carboxylic acid
9,10-dihydroxy-6,8-dimethoxy-1-oxo-3-[(1E)-prop-1-en-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carboxylic acid
Cyathuscavin B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL481769/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 655.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.4±3.0 kJ/mol
Flash Point: 239.9±25.0 °C
Index of Refraction: 1.673
Molar Refractivity: 89.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.79
ACD/LogD (pH 7.4): -1.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 79.4±5.0 dyne/cm
Molar Volume: 237.5±5.0 cm3

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