ChemSpider 2D Image | (2Z)-3-[3-(3,4-Dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acrylaldehyde | C18H16O6

(2Z)-3-[3-(3,4-Dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acrylaldehyde

  • Molecular FormulaC18H16O6
  • Average mass328.316 Da
  • Monoisotopic mass328.094696 Da
  • ChemSpider ID35013584

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-[3-(3,4-Dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acrylaldehyd [German] [ACD/IUPAC Name]
(2Z)-3-[3-(3,4-Dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acrylaldehyde [ACD/IUPAC Name]
(2Z)-3-[3-(3,4-Dihydroxyphényl)-2-(hydroxyméthyl)-2,3-dihydro-1,4-benzodioxin-6-yl]acrylaldéhyde [French] [ACD/IUPAC Name]
2-Propenal, 3-[3-(3,4-dihydroxyphenyl)-2,3-dihydro-2-(hydroxymethyl)-1,4-benzodioxin-6-yl]-, (2Z)- [ACD/Index Name]
(2Z)-3-[3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
109063-85-6 [RN]
Isoamericanin A

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 222.8±25.0 °C
Index of Refraction: 1.663
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 6.68
ACD/KOC (pH 5.5): 135.48
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.57
ACD/KOC (pH 7.4): 133.25
Polar Surface Area: 96 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 236.3±3.0 cm3

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