ChemSpider 2D Image | (2E,6E)-8-(4,6-Dihydroxy-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2,6-dimethyl-2,6-octadienoic acid | C18H19NO6

(2E,6E)-8-(4,6-Dihydroxy-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2,6-dimethyl-2,6-octadienoic acid

  • Molecular FormulaC18H19NO6
  • Average mass345.347 Da
  • Monoisotopic mass345.121246 Da
  • ChemSpider ID78434676

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,6E)-8-(4,6-Dihydroxy-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2,6-dimethyl-2,6-octadienoic acid [ACD/IUPAC Name]
(2E,6E)-8-(4,6-Dihydroxy-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2,6-dimethyl-2,6-octadiensäure [German] [ACD/IUPAC Name]
2,6-Octadienoic acid, 8-(2,3-dihydro-4,6-dihydroxy-1,3-dioxo-1H-isoindol-5-yl)-2,6-dimethyl-, (2E,6E)- [ACD/Index Name]
Acide (2E,6E)-8-(4,6-dihydroxy-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)-2,6-diméthyl-2,6-octadiénoïque [French] [ACD/IUPAC Name]
Erinacerin S

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 3.73
ACD/KOC (pH 5.5): 57.82
ACD/LogD (pH 7.4): -1.47
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 124 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 64.4±3.0 dyne/cm
Molar Volume: 250.7±3.0 cm3

Click to predict properties on the Chemicalize site


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