ChemSpider 2D Image | (2R,2'R)-6'-Formyl-5-hydroxy-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclohept[5]ene]-2'-carboxylic acid | C16H14O6

(2R,2'R)-6'-Formyl-5-hydroxy-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclohept[5]ene]-2'-carboxylic acid

  • Molecular FormulaC16H14O6
  • Average mass302.279 Da
  • Monoisotopic mass302.079041 Da
  • ChemSpider ID76786927

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,2'R)-6'-Formyl-5-hydroxy-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclohept[5]ene]-2'-carboxylic acid [ACD/IUPAC Name]
Spiro[benzofuran-2(3H),1'-cyclohept[5]ene]-2'-carboxylic acid, 6'-formyl-5-hydroxy-3-oxo-, (2R,2'R)- [ACD/Index Name]
Spiroapplanatumine H

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 239.0±25.0 °C
Index of Refraction: 1.654
Molar Refractivity: 74.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.32
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.46
ACD/LogD (pH 7.4): -1.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 74.5±5.0 dyne/cm
Molar Volume: 202.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement