Found 2 results

Search term: BNEOSSXDBVNFGD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-Ethoxy-2-methyl-3-oxo-2-(2-thienyl)propanoic acid | C10H12O4S

3-Ethoxy-2-methyl-3-oxo-2-(2-thienyl)propanoic acid

  • Molecular FormulaC10H12O4S
  • Average mass228.265 Da
  • Monoisotopic mass228.045624 Da
  • ChemSpider ID62811517

More details:

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

3-Ethoxy-2-methyl-3-oxo-2-(2-thienyl)propanoic acid [ACD/IUPAC Name]
3-Ethoxy-2-methyl-3-oxo-2-(2-thienyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-éthoxy-2-méthyl-3-oxo-2-(2-thiényl)propanoïque [French] [ACD/IUPAC Name]
Propanedioic acid, 2-methyl-2-(2-thienyl)-, monoethyl ester [ACD/Index Name]
88701-58-0 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 354.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 168.4±25.1 °C
Index of Refraction: 1.542
Molar Refractivity: 55.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -0.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.71
ACD/LogD (pH 7.4): -1.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 176.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement