ChemSpider 2D Image | 2-Hydroxy-4-(4-nitro-3-thienyl)-3-butynoic acid | C8H5NO5S

2-Hydroxy-4-(4-nitro-3-thienyl)-3-butynoic acid

  • Molecular FormulaC8H5NO5S
  • Average mass227.194 Da
  • Monoisotopic mass226.988846 Da
  • ChemSpider ID89859243

More details:

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

2-Hydroxy-4-(4-nitro-3-thienyl)-3-butinsäure [German] [ACD/IUPAC Name]
2-Hydroxy-4-(4-nitro-3-thienyl)-3-butynoic acid [ACD/IUPAC Name]
3-Butynoic acid, 2-hydroxy-4-(4-nitro-3-thienyl)- [ACD/Index Name]
Acide 2-hydroxy-4-(4-nitro-3-thiényl)-3-butynoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 501.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 257.3±30.1 °C
Index of Refraction: 1.681
Molar Refractivity: 50.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.15
ACD/LogD (pH 5.5): -1.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 132 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 97.1±5.0 dyne/cm
Molar Volume: 133.9±5.0 cm3

Click to predict properties on the Chemicalize site


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