ChemSpider 2D Image | (6aR,12bR)-6a,7,8,12b-Tetrahydro-6H-chromeno[3,4-c]isoquinoline-2,3-diol | C16H15NO3

(6aR,12bR)-6a,7,8,12b-Tetrahydro-6H-chromeno[3,4-c]isoquinoline-2,3-diol

  • Molecular FormulaC16H15NO3
  • Average mass269.295 Da
  • Monoisotopic mass269.105194 Da
  • ChemSpider ID25052026

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,12bR)-6a,7,8,12b-Tetrahydro-6H-chromeno[3,4-c]isochinolin-2,3-diol [German] [ACD/IUPAC Name]
(6aR,12bR)-6a,7,8,12b-Tétrahydro-6H-chroméno[3,4-c]isoquinoléine-2,3-diol [French] [ACD/IUPAC Name]
(6aR,12bR)-6a,7,8,12b-Tetrahydro-6H-chromeno[3,4-c]isoquinoline-2,3-diol [ACD/IUPAC Name]
6H-[1]Benzopyrano[3,4-c]isoquinoline-2,3-diol, 6a,7,8,12b-tetrahydro-, (6aR,12bR)- [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: 486.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 248.1±28.7 °C
Index of Refraction: 1.658
Molar Refractivity: 74.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.39
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 8.50
ACD/KOC (pH 7.4): 113.91
Polar Surface Area: 62 Å2
Polarizability: 29.5±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 202.0±3.0 cm3

Click to predict properties on the Chemicalize site


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