ChemSpider 2D Image | (4E)-4-[Hydroxy(4-methylphenyl)methylene]-1H-isochromene-1,3(4H)-dione | C17H12O4

(4E)-4-[Hydroxy(4-methylphenyl)methylene]-1H-isochromene-1,3(4H)-dione

  • Molecular FormulaC17H12O4
  • Average mass280.275 Da
  • Monoisotopic mass280.073547 Da
  • ChemSpider ID30657317

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-4-[Hydroxy(4-methylphenyl)methylen]-1H-isochromen-1,3(4H)-dion [German] [ACD/IUPAC Name]
(4E)-4-[Hydroxy(4-methylphenyl)methylene]-1H-isochromene-1,3(4H)-dione [ACD/IUPAC Name]
(4E)-4-[Hydroxy(4-méthylphényl)méthylène]-1H-isochromène-1,3(4H)-dione [French] [ACD/IUPAC Name]
1H-2-Benzopyran-1,3(4H)-dione, 4-[hydroxy(4-methylphenyl)methylene]-, (4E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 482.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.8±3.0 kJ/mol
Flash Point: 182.3±22.2 °C
Index of Refraction: 1.662
Molar Refractivity: 75.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 4.60
ACD/KOC (pH 5.5): 52.56
ACD/LogD (pH 7.4): -0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 30.1±0.5 10-24cm3
Surface Tension: 60.6±3.0 dyne/cm
Molar Volume: 205.2±3.0 cm3

Click to predict properties on the Chemicalize site


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