ChemSpider 2D Image | 4-Hydroxy-3-{1-[4-nitro(~2~H_4_)phenyl]-3-oxobutyl}-2H-chromen-2-one | C19H11D4NO6

4-Hydroxy-3-{1-[4-nitro(2H4)phenyl]-3-oxobutyl}-2H-chromen-2-one

  • Molecular FormulaC19H11D4NO6
  • Average mass357.350 Da
  • Monoisotopic mass357.115051 Da
  • ChemSpider ID58781697

  • Non-standard isotope - Non-standard isotope

More details:

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

2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-nitrophenyl-2,3,5,6-d4)-3-oxobutyl]- [ACD/Index Name]
4-Hydroxy-3-{1-[4-nitro(2H4)phenyl]-3-oxobutyl}-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-{1-[4-nitro(2H4)phenyl]-3-oxobutyl}-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-{1-[4-nitro(2H4)phényl]-3-oxobutyl}-2H-chromén-2-one [French] [ACD/IUPAC Name]
1185071-64-0 [RN]
Acenocoumarol-d4

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

Density: 1.4±0.1 g/cm3
Boiling Point: 592.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 312.3±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 91.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 9.60
ACD/KOC (pH 5.5): 88.95
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.53
Polar Surface Area: 109 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 247.6±3.0 cm3

Click to predict properties on the Chemicalize site


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