ChemSpider 2D Image | (3Z)-8-Methoxy-3-(4-methylbenzylidene)-6-[(1Z)-1-propen-1-yl]-2,3-dihydro-4H-chromen-4-one | C21H20O3

(3Z)-8-Methoxy-3-(4-methylbenzylidene)-6-[(1Z)-1-propen-1-yl]-2,3-dihydro-4H-chromen-4-one

  • Molecular FormulaC21H20O3
  • Average mass320.382 Da
  • Monoisotopic mass320.141235 Da
  • ChemSpider ID30655416

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-8-Methoxy-3-(4-methylbenzyliden)-6-[(1Z)-1-propen-1-yl]-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
(3Z)-8-Methoxy-3-(4-methylbenzylidene)-6-[(1Z)-1-propen-1-yl]-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
(3Z)-8-Méthoxy-3-(4-méthylbenzylidène)-6-[(1Z)-1-propén-1-yl]-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2,3-dihydro-8-methoxy-3-[(4-methylphenyl)methylene]-6-[(1Z)-1-propen-1-yl]-, (3Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 263.6±16.5 °C
Index of Refraction: 1.639
Molar Refractivity: 98.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 2334.46
ACD/KOC (pH 5.5): 8964.88
ACD/LogD (pH 7.4): 4.73
ACD/BCF (pH 7.4): 2334.46
ACD/KOC (pH 7.4): 8964.88
Polar Surface Area: 36 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 272.8±3.0 cm3

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