ChemSpider 2D Image | (3E,4S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(4-hydroxy-3-methoxybenzylidene)dihydro-2(3H)-furanone | C20H20O6

(3E,4S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(4-hydroxy-3-methoxybenzylidene)dihydro-2(3H)-furanone

  • Molecular FormulaC20H20O6
  • Average mass356.369 Da
  • Monoisotopic mass356.125977 Da
  • ChemSpider ID23328197
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3E,4S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(4-hydroxy-3-methoxybenzyliden)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3E,4S)-4-(4-Hydroxy-3-methoxybenzyl)-3-(4-hydroxy-3-methoxybenzylidene)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3E,4S)-4-(4-Hydroxy-3-méthoxybenzyl)-3-(4-hydroxy-3-méthoxybenzylidène)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylene]-, (3E,4S)- [ACD/Index Name]
(2E,3S)-2-(4-Hydroxy-3-methoxybenzylidene)-3-(4-hydroxy-3-methoxybenzyl)butyrolactone
(3E,4S)-4-(4-hydroxy-3-methoxybenzyl)-3-(4-hydroxy-3-methoxybenzylidene)dihydrofuran-2(3H)-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 604.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 217.9±25.0 °C
Index of Refraction: 1.647
Molar Refractivity: 97.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.87
ACD/KOC (pH 5.5): 643.42
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.33
ACD/KOC (pH 7.4): 637.49
Polar Surface Area: 85 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 267.2±3.0 cm3

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