ChemSpider 2D Image | Heptyl 2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-5-isoindolinecarboxylate | C30H37NO6

Heptyl 2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-5-isoindolinecarboxylate

  • Molecular FormulaC30H37NO6
  • Average mass507.618 Da
  • Monoisotopic mass507.262085 Da
  • ChemSpider ID3834628

More details:

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

1H-Isoindole-5-carboxylic acid, 2-[4-[(heptyloxy)carbonyl]phenyl]-2,3-dihydro-1,3-dioxo-, heptyl ester [ACD/Index Name]
2-{4-[(Heptyloxy)carbonyl]phényl}-1,3-dioxo-5-isoindolinecarboxylate d'heptyle [French] [ACD/IUPAC Name]
Heptyl 2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-5-isoindolinecarboxylate [ACD/IUPAC Name]
Heptyl-2-{4-[(heptyloxy)carbonyl]phenyl}-1,3-dioxo-5-isoindolincarboxylat [German] [ACD/IUPAC Name]
352337-09-8 [RN]
AC1NEN33
AGN-PC-0LEQH9
CHEVZOGXMDAICL-UHFFFAOYSA-N
heptyl 2-(4-((heptyloxy)carbonyl)phenyl)-1,3-dioxoisoindoline-5-carboxylate
heptyl 2-(4-heptoxycarbonylphenyl)-1,3-dioxoisoindole-5-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-205/33127048 [DBID]
ZINC08427197 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 640.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.6±3.0 kJ/mol
    Flash Point: 341.4±34.3 °C
    Index of Refraction: 1.554
    Molar Refractivity: 141.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 2
    ACD/LogP: 8.73
    ACD/LogD (pH 5.5): 8.46
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 950891.19
    ACD/LogD (pH 7.4): 8.46
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 950891.19
    Polar Surface Area: 90 Å2
    Polarizability: 56.0±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 440.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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