ChemSpider 2D Image | (3aS,4Z,7aR)-4-[(2E)-1-Hydroxy-3-phenyl-2-propen-1-ylidene]-3a,7a-dihydro-1-benzofuran-2,5(3H,4H)-dione | C17H14O4

(3aS,4Z,7aR)-4-[(2E)-1-Hydroxy-3-phenyl-2-propen-1-ylidene]-3a,7a-dihydro-1-benzofuran-2,5(3H,4H)-dione

  • Molecular FormulaC17H14O4
  • Average mass282.291 Da
  • Monoisotopic mass282.089203 Da
  • ChemSpider ID24846053
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(3aS,4Z,7aR)-4-[(2E)-1-Hydroxy-3-phenyl-2-propen-1-yliden]-3a,7a-dihydro-1-benzofuran-2,5(3H,4H)-dion [German] [ACD/IUPAC Name]
(3aS,4Z,7aR)-4-[(2E)-1-Hydroxy-3-phenyl-2-propen-1-ylidene]-3a,7a-dihydro-1-benzofuran-2,5(3H,4H)-dione [ACD/IUPAC Name]
(3aS,4Z,7aR)-4-[(2E)-1-Hydroxy-3-phényl-2-propén-1-ylidène]-3a,7a-dihydro-1-benzofurane-2,5(3H,4H)-dione [French] [ACD/IUPAC Name]
2,5(3H,4H)-Benzofurandione, 3a,7a-dihydro-4-[(2E)-1-hydroxy-3-phenyl-2-propen-1-ylidene]-, (3aS,4Z,7aR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 573.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 218.6±23.6 °C
Index of Refraction: 1.662
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 1.26
ACD/KOC (pH 5.5): 20.82
ACD/LogD (pH 7.4): -1.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 60.2±3.0 dyne/cm
Molar Volume: 209.8±3.0 cm3

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