ChemSpider 2D Image | (8alpha)-6-(~2~H_3_)Methyl-9,10-didehydroergoline-8-carboxylic acid | C16H13D3N2O2

(8α)-6-(2H3)Methyl-9,10-didehydroergoline-8-carboxylic acid

  • Molecular FormulaC16H13D3N2O2
  • Average mass271.329 Da
  • Monoisotopic mass271.140015 Da
  • ChemSpider ID76920423

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(8α)-6-(2H3)Methyl-9,10-didehydroergolin-8-carbonsäure [German] [ACD/IUPAC Name]
(8α)-6-(2H3)Methyl-9,10-didehydroergoline-8-carboxylic acid [ACD/IUPAC Name]
Acide (8α)-6-(2H3)méthyl-9,10-didéhydroergoline-8-carboxylique [French] [ACD/IUPAC Name]
Ergoline-8-carboxylic acid, 9,10-didehydro-6-(methyl-d3)-, (8α)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 536.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.5±3.0 kJ/mol
Flash Point: 278.1±30.1 °C
Index of Refraction: 1.726
Molar Refractivity: 76.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -0.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 56 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 192.1±5.0 cm3

Click to predict properties on the Chemicalize site


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