ChemSpider 2D Image | 3-[5-(3-Nitrophenyl)-2-thienyl]propanoic acid | C13H11NO4S

3-[5-(3-Nitrophenyl)-2-thienyl]propanoic acid

  • Molecular FormulaC13H11NO4S
  • Average mass277.296 Da
  • Monoisotopic mass277.040863 Da
  • ChemSpider ID25056818

More details:

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

2-Thiophenepropanoic acid, 5-(3-nitrophenyl)- [ACD/Index Name]
3-[5-(3-Nitrophenyl)-2-thienyl]propanoic acid [ACD/IUPAC Name]
3-[5-(3-Nitrophenyl)-2-thienyl]propansäure [German] [ACD/IUPAC Name]
3-[5-(3-nitrophenyl)thiophen-2-yl]propanoic acid
Acide 3-[5-(3-nitrophényl)-2-thiényl]propanoïque [French] [ACD/IUPAC Name]
3-[5-(3-nitrophenyl)thiophen-2-yl] propanoic 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: 461.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 232.9±27.3 °C
Index of Refraction: 1.634
Molar Refractivity: 71.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 15.06
ACD/KOC (pH 5.5): 117.57
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.87
Polar Surface Area: 111 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 60.4±3.0 dyne/cm
Molar Volume: 200.0±3.0 cm3

Click to predict properties on the Chemicalize site


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