Found 10 results

Search term: MF = 'C_{14}H_{14}O_{7}S'
ChemSpider 2D Image | 4-(5,6-Dimethoxy-1,1-dioxido-1-benzothiophen-2-yl)-4-oxobutanoic acid | C14H14O7S

4-(5,6-Dimethoxy-1,1-dioxido-1-benzothiophen-2-yl)-4-oxobutanoic acid

  • Molecular FormulaC14H14O7S
  • Average mass326.322 Da
  • Monoisotopic mass326.046021 Da
  • ChemSpider ID129211564

More details:

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

4-(5,6-Dimethoxy-1,1-dioxido-1-benzothiophen-2-yl)-4-oxobutanoic acid [ACD/IUPAC Name]
4-(5,6-Dimethoxy-1,1-dioxido-1-benzothiophen-2-yl)-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-(5,6-diméthoxy-1,1-dioxydo-1-benzothiophén-2-yl)-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzo[b]thiophene-2-butanoic acid, 5,6-dimethoxy-γ-oxo-, 1,1-dioxide [ACD/Index 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: 632.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 336.3±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 75.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.38
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 29.9±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 223.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement