Found 71 results

Search term: MF = 'C_{11}H_{8}O_{5}S'
ChemSpider 2D Image | [5-(4-Methoxy-4-oxo-1-butyn-1-yl)-2-thienyl](oxo)acetic acid | C11H8O5S

[5-(4-Methoxy-4-oxo-1-butyn-1-yl)-2-thienyl](oxo)acetic acid

  • Molecular FormulaC11H8O5S
  • Average mass252.243 Da
  • Monoisotopic mass252.009247 Da
  • ChemSpider ID86416039

More details:

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

[5-(4-Methoxy-4-oxo-1-butin-1-yl)-2-thienyl](oxo)essigsäure [German] [ACD/IUPAC Name]
[5-(4-Methoxy-4-oxo-1-butyn-1-yl)-2-thienyl](oxo)acetic acid [ACD/IUPAC Name]
2-Thiopheneacetic acid, 5-(4-methoxy-4-oxo-1-butyn-1-yl)-α-oxo- [ACD/Index Name]
Acide [5-(4-méthoxy-4-oxo-1-butyn-1-yl)-2-thiényl](oxo)acétique [French] [ACD/IUPAC 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: 429.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 213.6±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 58.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.29
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 23.4±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 173.0±5.0 cm3

Click to predict properties on the Chemicalize site


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