ChemSpider 2D Image | Hydroxy[4-(methylsulfonyl)-1,3-benzodioxol-5-yl]acetic acid | C10H10O7S

Hydroxy[4-(methylsulfonyl)-1,3-benzodioxol-5-yl]acetic acid

  • Molecular FormulaC10H10O7S
  • Average mass274.247 Da
  • Monoisotopic mass274.014709 Da
  • ChemSpider ID76443015

More details:

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

1,3-Benzodioxole-5-acetic acid, α-hydroxy-4-(methylsulfonyl)- [ACD/Index Name]
Acide hydroxy[4-(méthylsulfonyl)-1,3-benzodioxol-5-yl]acétique [French] [ACD/IUPAC Name]
Hydroxy[4-(methylsulfonyl)-1,3-benzodioxol-5-yl]acetic acid [ACD/IUPAC Name]
Hydroxy[4-(methylsulfonyl)-1,3-benzodioxol-5-yl]essigsäure [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 594.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.2±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 58.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.93
ACD/LogD (pH 5.5): -3.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 70.2±3.0 dyne/cm
Molar Volume: 168.1±3.0 cm3

Click to predict properties on the Chemicalize site


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