ChemSpider 2D Image | (1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-hydroxybenzoate | C17H22O3

(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-hydroxybenzoate

  • Molecular FormulaC17H22O3
  • Average mass274.355 Da
  • Monoisotopic mass274.156891 Da
  • ChemSpider ID24816197
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 4-hydroxybenzoate [ACD/IUPAC Name]
(1R)-1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl-4-hydroxybenzoat [German] [ACD/IUPAC Name]
4-Hydroxybenzoate de (1R)-1,7,7-triméthylbicyclo[2.2.1]hept-2-yle [French] [ACD/IUPAC Name]
Benzoic acid, 4-hydroxy-, (1R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester [ACD/Index Name]
38970-50-2 [RN]

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

ZINC00073643 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 381.6±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 153.2±13.2 °C
Index of Refraction: 1.568
Molar Refractivity: 77.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 2675.90
ACD/KOC (pH 5.5): 9879.01
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 2290.75
ACD/KOC (pH 7.4): 8457.09
Polar Surface Area: 47 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 46.7±5.0 dyne/cm
Molar Volume: 235.1±5.0 cm3

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