ChemSpider 2D Image | 3-[3-(2-Carboxyethyl)-4-{[(5E)-6-{4-[(~3~H_3_)methyloxy]phenyl}-5-hexen-1-yl]oxy}benzoyl]benzoic acid | C30H27T3O7

3-[3-(2-Carboxyethyl)-4-{[(5E)-6-{4-[(3H3)methyloxy]phenyl}-5-hexen-1-yl]oxy}benzoyl]benzoic acid

  • Molecular FormulaC30H27T3O7
  • Average mass508.579 Da
  • Monoisotopic mass508.223816 Da
  • ChemSpider ID26378289

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

3-[3-(2-Carboxyethyl)-4-{[(5E)-6-{4-[(3H3)methyloxy]phenyl}-5-hexen-1-yl]oxy}benzoyl]benzoesäure [German] [ACD/IUPAC Name]
3-[3-(2-Carboxyethyl)-4-{[(5E)-6-{4-[(3H3)methyloxy]phenyl}-5-hexen-1-yl]oxy}benzoyl]benzoic acid [ACD/IUPAC Name]
Acide 3-[3-(2-carboxyéthyl)-4-{[(5E)-6-{4-[(3H3)méthyloxy]phényl}-5-hexén-1-yl]oxy}benzoyl]benzoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 5-(3-carboxybenzoyl)-2-[[(5E)-6-[4-(methyl-t3-oxy)phenyl]-5-hexen-1-yl]oxy]- [ACD/Index Name]
CGS-23131

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

Density:
Boiling Point: 753.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 248.4±26.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 6.32
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 41.88
ACD/KOC (pH 5.5): 91.84
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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