ChemSpider 2D Image | ({2-Methoxy-5-[(2E)-3-(2-methylphenyl)-2-propenoyl]benzyl}sulfanyl)acetic acid | C20H20O4S

({2-Methoxy-5-[(2E)-3-(2-methylphenyl)-2-propenoyl]benzyl}sulfanyl)acetic acid

  • Molecular FormulaC20H20O4S
  • Average mass356.435 Da
  • Monoisotopic mass356.108215 Da
  • ChemSpider ID22843376

  • Double-bond stereo - Double-bond stereo

More details:

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

({2-Methoxy-5-[(2E)-3-(2-methylphenyl)-2-propenoyl]benzyl}sulfanyl)acetic acid [ACD/IUPAC Name]
({2-Methoxy-5-[(2E)-3-(2-methylphenyl)-2-propenoyl]benzyl}sulfanyl)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[[2-methoxy-5-[(2E)-3-(2-methylphenyl)-1-oxo-2-propen-1-yl]phenyl]methyl]thio]- [ACD/Index Name]
Acide ({2-méthoxy-5-[(2E)-3-(2-méthylphényl)-2-propenoyl]benzyl}sulfanyl)acétique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 564.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 295.4±30.1 °C
Index of Refraction: 1.629
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 10.44
ACD/KOC (pH 5.5): 59.20
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.35
Polar Surface Area: 89 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 288.0±3.0 cm3

Click to predict properties on the Chemicalize site


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