ChemSpider 2D Image | {(5Z)-5-[3-(Carboxymethoxy)-4-methoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid | C15H13NO8S

{(5Z)-5-[3-(Carboxymethoxy)-4-methoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid

  • Molecular FormulaC15H13NO8S
  • Average mass367.331 Da
  • Monoisotopic mass367.036194 Da
  • ChemSpider ID23294526

  • Double-bond stereo - Double-bond stereo

More details:

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

[(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid
{(5Z)-5-[3-(Carboxymethoxy)-4-methoxybenzyliden]-2,4-dioxo-1,3-thiazolidin-3-yl}essigsäure [German] [ACD/IUPAC Name]
{(5Z)-5-[3-(Carboxymethoxy)-4-methoxybenzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid [ACD/IUPAC Name]
3-Thiazolidineacetic acid, 5-[[3-(carboxymethoxy)-4-methoxyphenyl]methylene]-2,4-dioxo-, (5Z)- [ACD/Index Name]
Acide {(5Z)-5-[3-(carboxyméthoxy)-4-méthoxybenzylidène]-2,4-dioxo-1,3-thiazolidin-3-yl}acétique [French] [ACD/IUPAC Name]
[5-(3-carboxymethoxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3- yl]acetic acid
CHEMBL396176
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL396176/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 638.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 340.1±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 86.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 78.7±3.0 dyne/cm
Molar Volume: 231.4±3.0 cm3

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