ChemSpider 2D Image | (9R)-4-Hydroxy-11-methyl-11-azatetracyclo[7.4.4.0~1,9~.0~2,7~]heptadeca-2,4,6-trien-15-one | C17H21NO2

(9R)-4-Hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2,4,6-trien-15-one

  • Molecular FormulaC17H21NO2
  • Average mass271.354 Da
  • Monoisotopic mass271.157227 Da
  • ChemSpider ID30658759

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9R)-4-Hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2,4,6-trien-15-on [German] [ACD/IUPAC Name]
(9R)-4-Hydroxy-11-methyl-11-azatetracyclo[7.4.4.01,9.02,7]heptadeca-2,4,6-trien-15-one [ACD/IUPAC Name]
(9R)-4-Hydroxy-11-méthyl-11-azatétracyclo[7.4.4.01,9.02,7]heptadéca-2,4,6-trién-15-one [French] [ACD/IUPAC Name]
4a,9a-Butano-9H-indeno[2,1-c]pyridin-12-one, 1,2,3,4-tetrahydro-6-hydroxy-2-methyl-, (9aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 457.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 230.4±28.7 °C
Index of Refraction: 1.636
Molar Refractivity: 77.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.50
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.67
Polar Surface Area: 41 Å2
Polarizability: 30.6±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 215.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement