ChemSpider 2D Image | (4E)-5-Nitro-4-penten-2-ynoic acid | C5H3NO4

(4E)-5-Nitro-4-penten-2-ynoic acid

  • Molecular FormulaC5H3NO4
  • Average mass141.082 Da
  • Monoisotopic mass141.006210 Da
  • ChemSpider ID32990356

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-5-Nitro-4-penten-2-insäure [German] [ACD/IUPAC Name]
(4E)-5-Nitro-4-penten-2-ynoic acid [ACD/IUPAC Name]
4-Penten-2-ynoic acid, 5-nitro-, (4E)- [ACD/Index Name]
Acide (4E)-5-nitro-4-pentén-2-ynoïque [French] [ACD/IUPAC Name]
2089548-00-3 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 328.5±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.8±6.0 kJ/mol
Flash Point: 156.4±14.1 °C
Index of Refraction: 1.560
Molar Refractivity: 30.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.90
ACD/LogD (pH 5.5): -2.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 95.4±3.0 cm3

Click to predict properties on the Chemicalize site


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