ChemSpider 2D Image | Ethyl (4E)-6-(4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl)-4-methyl-4-hexenoate | C17H21NO5

Ethyl (4E)-6-(4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl)-4-methyl-4-hexenoate

  • Molecular FormulaC17H21NO5
  • Average mass319.352 Da
  • Monoisotopic mass319.141968 Da
  • ChemSpider ID78434881

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-6-(4,6-Dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl)-4-méthyl-4-hexénoate d'éthyle [French] [ACD/IUPAC Name]
4-Hexenoic acid, 6-(2,3-dihydro-4,6-dihydroxy-1-oxo-1H-isoindol-5-yl)-4-methyl-, ethyl ester, (4E)- [ACD/Index Name]
Ethyl (4E)-6-(4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl)-4-methyl-4-hexenoate [ACD/IUPAC Name]
Ethyl-(4E)-6-(4,6-dihydroxy-1-oxo-2,3-dihydro-1H-isoindol-5-yl)-4-methyl-4-hexenoat [German] [ACD/IUPAC Name]
Erinacerin R

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 307.8±30.1 °C
Index of Refraction: 1.584
Molar Refractivity: 84.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 25.07
ACD/KOC (pH 5.5): 349.14
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.66
ACD/KOC (pH 7.4): 329.59
Polar Surface Area: 96 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 253.2±3.0 cm3

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