ChemSpider 2D Image | [(Methoxysulfonyl)oxy]acetic acid | C3H6O6S

[(Methoxysulfonyl)oxy]acetic acid

  • Molecular FormulaC3H6O6S
  • Average mass170.141 Da
  • Monoisotopic mass169.988510 Da
  • ChemSpider ID60747982

More details:

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

[(Methoxysulfonyl)oxy]acetic acid [ACD/IUPAC Name]
[(Methoxysulfonyl)oxy]essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[(methoxysulfonyl)oxy]- [ACD/Index Name]
Acide [(méthoxysulfonyl)oxy]acétique [French] [ACD/IUPAC Name]
1378793-70-4 [RN]
MFCD20659175

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

Density: 1.6±0.1 g/cm3
Boiling Point: 354.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 65.9±6.0 kJ/mol
Flash Point: 168.4±23.2 °C
Index of Refraction: 1.473
Molar Refractivity: 29.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): -3.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 98 Å2
Polarizability: 11.8±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 106.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement