ChemSpider 2D Image | 5-[(E)-(2-Oxidanylidene-1h-Indol-3-Ylidene)methyl]-1,3-Benzodioxole-4-Carboxylic Acid | C17H11NO5

5-[(E)-(2-Oxidanylidene-1h-Indol-3-Ylidene)methyl]-1,3-Benzodioxole-4-Carboxylic Acid

  • Molecular FormulaC17H11NO5
  • Average mass309.273 Da
  • Monoisotopic mass309.063721 Da
  • ChemSpider ID35034335
  • 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)-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]- [ACD/Index Name]
5-[(E)-(2-Oxidanylidene-1h-Indol-3-Ylidene)methyl]-1,3-Benzodioxole-4-Carboxylic Acid
5-[(E)-(2-Oxo-1,2-dihydro-3H-indol-3-yliden)methyl]-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-[(E)-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-[(E)-(2-oxo-1,2-dihydro-3H-indol-3-ylidène)méthyl]-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
RVN

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

Density: 1.5±0.1 g/cm3
Boiling Point: 596.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.6±30.1 °C
Index of Refraction: 1.732
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.03
ACD/LogD (pH 5.5): 0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.28
ACD/LogD (pH 7.4): -0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 85 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 72.9±3.0 dyne/cm
Molar Volume: 202.5±3.0 cm3

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