ChemSpider 2D Image | 5-[(E)-(2-Oxo-2,3-dihydro-1H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid | C18H12O5

5-[(E)-(2-Oxo-2,3-dihydro-1H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC18H12O5
  • Average mass308.285 Da
  • Monoisotopic mass308.068481 Da
  • ChemSpider ID35034729
  • Double-bond stereo - Double-bond stereo


More details:






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

1,3-Benzodioxole-4-carboxylic acid, 5-[(E)-(2,3-dihydro-2-oxo-1H-inden-1-ylidene)methyl]- [ACD/Index Name]
5-[(E)-(2-Oxo-2,3-dihydro-1H-inden-1-yliden)methyl]-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(E)-(2-Oxo-2,3-dihydro-1H-inden-1-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(E)-(2-oxo-2,3-dihydro-1H-indén-1-ylidène)méthyl]-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
ZT2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 550.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 208.1±23.6 °C
Index of Refraction: 1.728
Molar Refractivity: 82.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 15.34
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.60
Polar Surface Area: 73 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 206.5±3.0 cm3

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