ChemSpider 2D Image | LY223982 | C30H30O7

LY223982

  • Molecular FormulaC30H30O7
  • Average mass502.555 Da
  • Monoisotopic mass502.199158 Da
  • ChemSpider ID21467752

  • Double-bond stereo - Double-bond stereo

More details:

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

117423-74-2 [RN]
3-[3-(2-Carboxyethyl)-4-{[(5Z)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}benzoyl]benzoesäure [German] [ACD/IUPAC Name]
3-[3-(2-Carboxyethyl)-4-{[(5Z)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy}benzoyl]benzoic acid [ACD/IUPAC Name]
Acide 3-[3-(2-carboxyéthyl)-4-{[(5Z)-6-(4-méthoxyphényl)-5-hexén-1-yl]oxy}benzoyl]benzoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 5-(3-carboxybenzoyl)-2-[[(5Z)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy]- [ACD/Index Name]
LY223982
5-(3-carboxybenzoyl)-2-[[(5E)-6-(4-methoxyphenyl)-5-hexenyl]oxy]-benzenepropanoic acid

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

Density: 1.2±0.1 g/cm3
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: 1.612
Molar Refractivity: 141.4±0.3 cm3
#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: 56.1±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 406.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement