ChemSpider 2D Image | 6,9,10-Trihydroxy-8-methoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carboxylic acid | C17H14O9

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

  • Molecular FormulaC17H14O9
  • Average mass362.288 Da
  • Monoisotopic mass362.063782 Da
  • ChemSpider ID23342282

  • 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, 6,9,10-trihydroxy-8-methoxy-1-oxo-3-[(1E)-1-propen-1-yl]- [ACD/Index Name]
6,9,10-Trihydroxy-8-methoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromen-7-carbonsäure [German] [ACD/IUPAC Name]
6,9,10-Trihydroxy-8-methoxy-1-oxo-3-[(1E)-1-propen-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carboxylic acid [ACD/IUPAC Name]
Acide 6,9,10-trihydroxy-8-méthoxy-1-oxo-3-[(1E)-1-propén-1-yl]-1H,6H-pyrano[4,3-c]isochromène-7-carboxylique [French] [ACD/IUPAC Name]
6,9,10-trihydroxy-8-methoxy-1-oxo-3-(prop-1-enyl)-1,6-dihydropyrano[4,3-c]isochromene-7-carboxylic acid
6,9,10-trihydroxy-8-methoxy-1-oxo-3-[(1E)-prop-1-en-1-yl]-1H,6H-pyrano[4,3-c]isochromene-7-carboxylic acid
Cyathuscavin C
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482275/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 709.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 263.6±26.4 °C
Index of Refraction: 1.723
Molar Refractivity: 84.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 143 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 96.0±5.0 dyne/cm
Molar Volume: 212.6±5.0 cm3

Click to predict properties on the Chemicalize site


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