ChemSpider 2D Image | 3-(1-Formyl-5-nitro-4-isoquinolinyl)-2-propynoic acid | C13H6N2O5

3-(1-Formyl-5-nitro-4-isoquinolinyl)-2-propynoic acid

  • Molecular FormulaC13H6N2O5
  • Average mass270.197 Da
  • Monoisotopic mass270.027679 Da
  • ChemSpider ID87664578

More details:

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

2-Propynoic acid, 3-(1-formyl-5-nitro-4-isoquinolinyl)- [ACD/Index Name]
3-(1-Formyl-5-nitro-4-isochinolinyl)-2-propinsäure [German] [ACD/IUPAC Name]
3-(1-Formyl-5-nitro-4-isoquinolinyl)-2-propynoic acid [ACD/IUPAC Name]
Acide 3-(1-formyl-5-nitro-4-isoquinoléinyl)-2-propynoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 562.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.0±3.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.720
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -2.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 95.9±5.0 dyne/cm
Molar Volume: 168.7±5.0 cm3

Click to predict properties on the Chemicalize site


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