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Search term: OUCMROUVWKJVLO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-[2-(Methoxycarbonyl)-4-(methylsulfonyl)-3-thienyl]-2-propynoic acid | C10H8O6S2

3-[2-(Methoxycarbonyl)-4-(methylsulfonyl)-3-thienyl]-2-propynoic acid

  • Molecular FormulaC10H8O6S2
  • Average mass288.297 Da
  • Monoisotopic mass287.976227 Da
  • ChemSpider ID85301683

More details:

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

2-Thiophenecarboxylic acid, 3-(2-carboxyethynyl)-4-(methylsulfonyl)-, 2-methyl ester [ACD/Index Name]
3-[2-(Methoxycarbonyl)-4-(methylsulfonyl)-3-thienyl]-2-propinsäure [German] [ACD/IUPAC Name]
3-[2-(Methoxycarbonyl)-4-(methylsulfonyl)-3-thienyl]-2-propynoic acid [ACD/IUPAC Name]
Acide 3-[2-(méthoxycarbonyl)-4-(méthylsulfonyl)-3-thiényl]-2-propynoïque [French] [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: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.0±30.1 °C
Index of Refraction: 1.623
Molar Refractivity: 63.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -3.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 178.7±5.0 cm3

Click to predict properties on the Chemicalize site


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