ChemSpider 2D Image | 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)acrylate | C20H25ClO4

1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)acrylate

  • Molecular FormulaC20H25ClO4
  • Average mass364.863 Da
  • Monoisotopic mass364.144135 Da
  • ChemSpider ID24686607

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3-Chloro-4-hydroxy-5-méthoxyphényl)acrylate de 1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl (2E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)acrylate [ACD/IUPAC Name]
1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-(2E)-3-(3-chlor-4-hydroxy-5-methoxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3-chloro-4-hydroxy-5-methoxyphenyl)-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, (2E)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448543/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 454.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.1±3.0 kJ/mol
Flash Point: 228.4±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4268.78
ACD/KOC (pH 5.5): 13802.64
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3782.75
ACD/KOC (pH 7.4): 12231.11
Polar Surface Area: 56 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 293.6±5.0 cm3

Click to predict properties on the Chemicalize site


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