ChemSpider 2D Image | (5,6,7,8-~2~H_4_)-2H-Chromen-2-one | C9H2D4O2

(5,6,7,8-2H4)-2H-Chromen-2-one

  • Molecular FormulaC9H2D4O2
  • Average mass150.167 Da
  • Monoisotopic mass150.061890 Da
  • ChemSpider ID24532352
  • Non-standard isotope - Non-standard isotope


More details:






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

(5,6,7,8-2H4)-2H-Chromen-2-on [German] [ACD/IUPAC Name]
(5,6,7,8-2H4)-2H-Chromen-2-one [ACD/IUPAC Name]
(5,6,7,8-2H4)-2H-Chromén-2-one [French] [ACD/IUPAC Name]
185056-83-1 [RN]
2H-1-Benzopyran-2-one-5,6,7,8-d4 [ACD/Index Name]
1-Benzopyran-2(2H)-one
5,6,7,8-tetradeuteriochromen-2-one
Coumarin-5,6,7,8-d4
COUMARIN-D4

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 298.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 53.8±3.0 kJ/mol
Flash Point: 118.3±16.1 °C
Index of Refraction: 1.595
Molar Refractivity: 39.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 15.06
ACD/KOC (pH 5.5): 242.45
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 15.06
ACD/KOC (pH 7.4): 242.45
Polar Surface Area: 26 Å2
Polarizability: 15.8±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 117.1±3.0 cm3

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