ChemSpider 2D Image | 4-[(Z)-1-Cyano-2-(2-isopropoxy-3-methoxyphenyl)vinyl]benzoic acid | C20H19NO4

4-[(Z)-1-Cyano-2-(2-isopropoxy-3-methoxyphenyl)vinyl]benzoic acid

  • Molecular FormulaC20H19NO4
  • Average mass337.369 Da
  • Monoisotopic mass337.131409 Da
  • ChemSpider ID110020910

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(Z)-1-Cyan-2-(2-isopropoxy-3-methoxyphenyl)vinyl]benzoesäure [German] [ACD/IUPAC Name]
4-[(Z)-1-Cyano-2-(2-isopropoxy-3-methoxyphenyl)vinyl]benzoic acid [ACD/IUPAC Name]
Acide 4-[(Z)-1-cyano-2-(2-isopropoxy-3-méthoxyphényl)vinyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(Z)-1-cyano-2-[3-methoxy-2-(1-methylethoxy)phenyl]ethenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 262.8±30.1 °C
Index of Refraction: 1.605
Molar Refractivity: 96.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 63.91
ACD/KOC (pH 5.5): 252.15
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 2.31
ACD/KOC (pH 7.4): 9.12
Polar Surface Area: 80 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 279.8±3.0 cm3

Click to predict properties on the Chemicalize site


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