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ChemSpider 2D Image | 3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid | C16H15NO5

3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid

  • Molecular FormulaC16H15NO5
  • Average mass301.294 Da
  • Monoisotopic mass301.095032 Da
  • ChemSpider ID25058543
  • Double-bond stereo - Double-bond stereo


More details:






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

3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid
3-{5-[(1Z)-2-Nitro-1-penten-1-yl]-2-furyl}benzoesäure [German] [ACD/IUPAC Name]
3-{5-[(1Z)-2-Nitro-1-penten-1-yl]-2-furyl}benzoic acid [ACD/IUPAC Name]
Acide 3-{5-[(1Z)-2-nitro-1-pentén-1-yl]-2-furyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[5-[(1Z)-2-nitro-1-penten-1-yl]-2-furanyl]- [ACD/Index Name]
3-{5-[(1Z)-2-nitropent-1-en-1-yl]furan-2-yl}benzoic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 260.4±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 23.55
ACD/KOC (pH 5.5): 129.40
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.23
Polar Surface Area: 96 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 236.6±3.0 cm3

Click to predict properties on the Chemicalize site






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