ChemSpider 2D Image | 3-(methanesulfinylmethyl)-1-benzofuran-2-carboxylic acid | C11H10O4S

3-(methanesulfinylmethyl)-1-benzofuran-2-carboxylic acid

  • Molecular FormulaC11H10O4S
  • Average mass238.260 Da
  • Monoisotopic mass238.029984 Da
  • ChemSpider ID28160730

More details:

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

1250163-72-4 [RN]
2-Benzofurancarboxylic acid, 3-[(methylsulfinyl)methyl]- [ACD/Index Name]
3-(methanesulfinylmethyl)-1-benzofuran-2-carboxylic acid
3-[(Methylsulfinyl)methyl]-1-benzofuran-2-carbonsäure [German] [ACD/IUPAC Name]
3-[(Methylsulfinyl)methyl]-1-benzofuran-2-carboxylic acid [ACD/IUPAC Name]
Acide 3-[(méthylsulfinyl)méthyl]-1-benzofurane-2-carboxylique [French] [ACD/IUPAC Name]
MFCD14613368

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

Density: 1.5±0.1 g/cm3
Boiling Point: 501.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 257.4±27.3 °C
Index of Refraction: 1.692
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 75.2±3.0 dyne/cm
Molar Volume: 161.2±3.0 cm3

Click to predict properties on the Chemicalize site


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