ChemSpider 2D Image | (1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl acetate | C9H12O2

(1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl acetate

  • Molecular FormulaC9H12O2
  • Average mass152.190 Da
  • Monoisotopic mass152.083725 Da
  • ChemSpider ID32787420
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl acetate [ACD/IUPAC Name]
(1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1R,2S,4R)-bicyclo[2.2.1]hept-5-én-2-yle [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-en-2-ol, acetate, (1R,2S,4R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 184.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.3 mmHg at 25°C
Enthalpy of Vaporization: 42.1±3.0 kJ/mol
Flash Point: 62.2±0.0 °C
Index of Refraction: 1.508
Molar Refractivity: 41.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.39
ACD/KOC (pH 5.5): 567.43
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.39
ACD/KOC (pH 7.4): 567.43
Polar Surface Area: 26 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 35.6±5.0 dyne/cm
Molar Volume: 138.5±5.0 cm3

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