ChemSpider 2D Image | 2-Oxopropyl 5-nitro-2-thiophenecarboxylate | C8H7NO5S

2-Oxopropyl 5-nitro-2-thiophenecarboxylate

  • Molecular FormulaC8H7NO5S
  • Average mass229.210 Da
  • Monoisotopic mass229.004486 Da
  • ChemSpider ID26378802

More details:






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

2-Oxopropyl 5-nitro-2-thiophenecarboxylate [ACD/IUPAC Name]
2-Oxopropyl-5-nitro-2-thiophencarboxylat [German] [ACD/IUPAC Name]
2-Thiophenecarboxylic acid, 5-nitro-, 2-oxopropyl ester [ACD/Index Name]
5-Nitro-2-thiophènecarboxylate de 2-oxopropyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 407.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.9±3.0 kJ/mol
Flash Point: 200.0±25.9 °C
Index of Refraction: 1.572
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 5.01
ACD/KOC (pH 5.5): 110.27
ACD/LogD (pH 7.4): 1.22
ACD/BCF (pH 7.4): 5.01
ACD/KOC (pH 7.4): 110.27
Polar Surface Area: 117 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 158.8±3.0 cm3

Click to predict properties on the Chemicalize site






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