ChemSpider 2D Image | (1aS,2R,3S,7bR)-1a,2,3,7b-Tetrahydronaphtho[1,2-b]oxirene-2,3-diol | C10H10O3

(1aS,2R,3S,7bR)-1a,2,3,7b-Tetrahydronaphtho[1,2-b]oxirene-2,3-diol

  • Molecular FormulaC10H10O3
  • Average mass178.185 Da
  • Monoisotopic mass178.062988 Da
  • ChemSpider ID110555437

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1aS,2R,3S,7bR)-1a,2,3,7b-Tetrahydronaphtho[1,2-b]oxiren-2,3-diol [German] [ACD/IUPAC Name]
(1aS,2R,3S,7bR)-1a,2,3,7b-Tetrahydronaphtho[1,2-b]oxirene-2,3-diol [ACD/IUPAC Name]
(1aS,2R,3S,7bR)-1a,2,3,7b-Tétrahydronaphto[1,2-b]oxirène-2,3-diol [French] [ACD/IUPAC Name]
Naphth[1,2-b]oxirene-2,3-diol, 1a,2,3,7b-tetrahydro-, (1aS,2R,3S,7bR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 382.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 66.5±3.0 kJ/mol
Flash Point: 185.1±27.9 °C
Index of Refraction: 1.690
Molar Refractivity: 45.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.87
ACD/LogD (pH 5.5): 0.73
ACD/BCF (pH 5.5): 2.12
ACD/KOC (pH 5.5): 59.62
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 2.12
ACD/KOC (pH 7.4): 59.62
Polar Surface Area: 53 Å2
Polarizability: 18.2±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 120.0±3.0 cm3

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