Found 22 results

Search term: MF = 'C_{21}H_{18}O_{7}S'
ChemSpider 2D Image | 2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl 3-[(methylsulfinyl)methyl]-1-benzofuran-2-carboxylate | C21H18O7S

2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl 3-[(methylsulfinyl)methyl]-1-benzofuran-2-carboxylate

  • Molecular FormulaC21H18O7S
  • Average mass414.428 Da
  • Monoisotopic mass414.077332 Da
  • ChemSpider ID128812902

More details:

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

2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl 3-[(methylsulfinyl)methyl]-1-benzofuran-2-carboxylate [ACD/IUPAC Name]
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl-3-[(methylsulfinyl)methyl]-1-benzofuran-2-carboxylat [German] [ACD/IUPAC Name]
2-Benzofurancarboxylic acid, 3-[(methylsulfinyl)methyl]-, 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl ester [ACD/Index Name]
3-[(Méthylsulfinyl)méthyl]-1-benzofurane-2-carboxylate de 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoéthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.3±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 107.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 43.86
ACD/KOC (pH 5.5): 521.20
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.86
ACD/KOC (pH 7.4): 521.20
Polar Surface Area: 111 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 66.9±3.0 dyne/cm
Molar Volume: 291.4±3.0 cm3

Click to predict properties on the Chemicalize site


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