ChemSpider 2D Image | Dimethyl (3E)-2-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)succinate | C22H20O8

Dimethyl (3E)-2-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)succinate

  • Molecular FormulaC22H20O8
  • Average mass412.389 Da
  • Monoisotopic mass412.115814 Da
  • ChemSpider ID28424548

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-2-(1,3-Benzodioxol-5-ylméthyl)-3-(1,3-benzodioxol-5-ylméthylène)succinate de diméthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)-, dimethyl ester, (3E)- [ACD/Index Name]
Dimethyl (3E)-2-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylene)succinate [ACD/IUPAC Name]
Dimethyl-(3E)-2-(1,3-benzodioxol-5-ylmethyl)-3-(1,3-benzodioxol-5-ylmethylen)succinat [German] [ACD/IUPAC Name]
(E)-(1,3-Benzodioxol-5-ylmethyl)(1,3-benzodioxol-5-ylmethylene)butanedioic acid dimethyl ester
[103001-05-4] [RN]
103001-05-4 [RN]
66547-92-0 [RN]
CID 91884890
Dehydroheliobuphthalmin
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 582.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.1±3.0 kJ/mol
Flash Point: 254.1±30.2 °C
Index of Refraction: 1.613
Molar Refractivity: 105.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.02
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 507.98
ACD/KOC (pH 5.5): 3009.18
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 507.98
ACD/KOC (pH 7.4): 3009.18
Polar Surface Area: 90 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 303.1±3.0 cm3

Click to predict properties on the Chemicalize site


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