ChemSpider 2D Image | (R)-(+)-Acenocoumarol | C19H15NO6

(R)-(+)-Acenocoumarol

  • Molecular FormulaC19H15NO6
  • Average mass353.326 Da
  • Monoisotopic mass353.089935 Da
  • ChemSpider ID23975955

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-(+)-Acenocoumarol
(R)-Acenocoumarol
2H-1-Benzopyran-2-one, 4-hydroxy-3-[(1R)-1-(4-nitrophenyl)-3-oxobutyl]- [ACD/Index Name]
4-Hydroxy-3-[(1R)-1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(1R)-1-(4-nitrophenyl)-3-oxobutyl]-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-[(1R)-1-(4-nitrophényl)-3-oxobutyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
66556-77-2 [RN]
acenocoumarolum [Latin] [INN]
JRD7912W79
(+)-3-(a-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4300221 [DBID]

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

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