ChemSpider 2D Image | 5-Chloro-3-(3-methoxy-3-oxo-1-propyn-1-yl)-2-thiophenecarboxylic acid | C9H5ClO4S

5-Chloro-3-(3-methoxy-3-oxo-1-propyn-1-yl)-2-thiophenecarboxylic acid

  • Molecular FormulaC9H5ClO4S
  • Average mass244.652 Da
  • Monoisotopic mass243.959702 Da
  • ChemSpider ID84928023

More details:

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

2-Thiophenecarboxylic acid, 5-chloro-3-(3-methoxy-3-oxo-1-propyn-1-yl)- [ACD/Index Name]
5-Chlor-3-(3-methoxy-3-oxo-1-propin-1-yl)-2-thiophencarbonsäure [German] [ACD/IUPAC Name]
5-Chloro-3-(3-methoxy-3-oxo-1-propyn-1-yl)-2-thiophenecarboxylic acid [ACD/IUPAC Name]
Acide 5-chloro-3-(3-méthoxy-3-oxo-1-propyn-1-yl)-2-thiophènecarboxylique [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: 403.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 197.7±28.7 °C
Index of Refraction: 1.623
Molar Refractivity: 54.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 0.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.13
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 92 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 71.8±5.0 dyne/cm
Molar Volume: 154.3±5.0 cm3

Click to predict properties on the Chemicalize site


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