ChemSpider 2D Image | (3E)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4-dimethoxybenzylidene)dihydro-2(3H)-furanone | C21H20O6

(3E)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4-dimethoxybenzylidene)dihydro-2(3H)-furanone

  • Molecular FormulaC21H20O6
  • Average mass368.380 Da
  • Monoisotopic mass368.125977 Da
  • ChemSpider ID28283074

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
Natural Product Updates

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

(3E)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4-dimethoxybenzyliden)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3E)-4-(1,3-Benzodioxol-5-ylmethyl)-3-(3,4-dimethoxybenzylidene)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3E)-4-(1,3-Benzodioxol-5-ylméthyl)-3-(3,4-diméthoxybenzylidène)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylene]dihydro-, (3E)- [ACD/Index Name]
75590-33-9 [RN]
gossipifan
Kaerophyllin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 253.4±30.2 °C
Index of Refraction: 1.625
Molar Refractivity: 99.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.68
ACD/KOC (pH 5.5): 1531.32
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.68
ACD/KOC (pH 7.4): 1531.32
Polar Surface Area: 63 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 281.5±3.0 cm3

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