ChemSpider 2D Image | (1R,4S)-Bicyclo[2.2.1]hept-2-ene-2-carboxylic acid | C8H10O2

(1R,4S)-Bicyclo[2.2.1]hept-2-ene-2-carboxylic acid

  • Molecular FormulaC8H10O2
  • Average mass138.164 Da
  • Monoisotopic mass138.068085 Da
  • ChemSpider ID32995920

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4S)-Bicyclo[2.2.1]hept-2-en-2-carbonsäure [German] [ACD/IUPAC Name]
(1R,4S)-Bicyclo[2.2.1]hept-2-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide (1R,4S)-bicyclo[2.2.1]hept-2-ène-2-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-2-ene-2-carboxylic acid, (1R,4S)- [ACD/Index Name]
1354393-64-8 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 269.0±9.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.8±6.0 kJ/mol
Flash Point: 121.7±13.4 °C
Index of Refraction: 1.577
Molar Refractivity: 36.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 5.03
ACD/KOC (pH 5.5): 70.50
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.17
Polar Surface Area: 37 Å2
Polarizability: 14.3±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 108.7±3.0 cm3

Click to predict properties on the Chemicalize site


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