ChemSpider 2D Image | 5-(1H-Indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid | C17H13NO4

5-(1H-Indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid

  • Molecular FormulaC17H13NO4
  • Average mass295.289 Da
  • Monoisotopic mass295.084473 Da
  • ChemSpider ID35035756

More details:

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

1,3-Benzodioxole-4-carboxylic acid, 5-(1H-indol-3-ylmethyl)- [ACD/Index Name]
5-(1H-Indol-3-ylmethyl)-1,3-benzodioxol-4-carbonsäure [German] [ACD/IUPAC Name]
5-(1H-Indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-(1H-indol-3-ylméthyl)-1,3-benzodioxole-4-carboxylique [French] [ACD/IUPAC Name]
C5Q

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

Density: 1.4±0.1 g/cm3
Boiling Point: 528.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 273.3±30.1 °C
Index of Refraction: 1.720
Molar Refractivity: 80.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 8.64
ACD/KOC (pH 5.5): 58.58
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.25
Polar Surface Area: 72 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 73.0±3.0 dyne/cm
Molar Volume: 205.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement