ChemSpider 2D Image | 4-{(E)-[3-(3-Hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid | C17H11NO5S

4-{(E)-[3-(3-Hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

  • Molecular FormulaC17H11NO5S
  • Average mass341.338 Da
  • Monoisotopic mass341.035797 Da
  • ChemSpider ID21814879

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(E)-[3-(3-Hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yliden]methyl}benzoesäure [German] [ACD/IUPAC Name]
4-{(E)-[3-(3-Hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{(E)-[3-(3-hydroxyphényl)-2,4-dioxo-1,3-thiazolidin-5-ylidène]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(E)-[3-(3-hydroxyphenyl)-2,4-dioxo-5-thiazolidinylidene]methyl]- [ACD/Index Name]
4-{[(5E)-3-(3-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 621.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 329.8±34.3 °C
Index of Refraction: 1.774
Molar Refractivity: 89.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.72
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 120 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 86.8±3.0 dyne/cm
Molar Volume: 215.2±3.0 cm3

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