ChemSpider 2D Image | {[(7-Methyl-2-oxo-2H-chromen-4-yl)methyl]sulfonyl}acetic acid | C13H12O6S

{[(7-Methyl-2-oxo-2H-chromen-4-yl)methyl]sulfonyl}acetic acid

  • Molecular FormulaC13H12O6S
  • Average mass296.296 Da
  • Monoisotopic mass296.035461 Da
  • ChemSpider ID22499623

More details:

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

{[(7-Methyl-2-oxo-2H-chromen-4-yl)methyl]sulfonyl}acetic acid [ACD/IUPAC Name]
{[(7-Methyl-2-oxo-2H-chromen-4-yl)methyl]sulfonyl}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]sulfonyl]- [ACD/Index Name]
Acide {[(7-méthyl-2-oxo-2H-chromén-4-yl)méthyl]sulfonyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 622.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.9±3.0 kJ/mol
Flash Point: 330.2±31.5 °C
Index of Refraction: 1.603
Molar Refractivity: 69.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 106 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 61.1±3.0 dyne/cm
Molar Volume: 201.1±3.0 cm3

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