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Search term: MF = 'C_{11}H_{12}O_{5}S'
ChemSpider 2D Image | 4-(3-Ethoxy-3-oxopropyl)-5-formyl-2-thiophenecarboxylic acid | C11H12O5S

4-(3-Ethoxy-3-oxopropyl)-5-formyl-2-thiophenecarboxylic acid

  • Molecular FormulaC11H12O5S
  • Average mass256.275 Da
  • Monoisotopic mass256.040558 Da
  • ChemSpider ID101935375

More details:

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

3-Thiophenepropanoic acid, 5-carboxy-2-formyl-, α-ethyl ester [ACD/Index Name]
4-(3-Ethoxy-3-oxopropyl)-5-formyl-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
4-(3-Ethoxy-3-oxopropyl)-5-formyl-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 4-(3-éthoxy-3-oxopropyl)-5-formyl-2-thiophènecarboxylique [French] [ACD/IUPAC Name]
4-(3-ethoxy-3-oxopropyl)-5-formylthiophene-2-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 440.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 220.3±28.7 °C
Index of Refraction: 1.588
Molar Refractivity: 63.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): -0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 188.9±3.0 cm3

Click to predict properties on the Chemicalize site


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