ChemSpider 2D Image | 3',6'-Bis(2-carboxyethoxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid | C27H20O11

3',6'-Bis(2-carboxyethoxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid

  • Molecular FormulaC27H20O11
  • Average mass520.441 Da
  • Monoisotopic mass520.100586 Da
  • ChemSpider ID8340445

More details:

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

3',6'-Bis(2-carboxyethoxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carbonsäure [German] [ACD/IUPAC Name]
3',6'-Bis(2-carboxyethoxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid [ACD/IUPAC Name]
Acide 3',6'-bis(2-carboxyéthoxy)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylique [French] [ACD/IUPAC Name]
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-5-carboxylic acid, 3',6'-bis(2-carboxyethoxy)-3-oxo- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 796.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.4±3.0 kJ/mol
Flash Point: 271.3±26.4 °C
Index of Refraction: 1.717
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -1.95
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 92.8±5.0 dyne/cm
Molar Volume: 319.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement