ChemSpider 2D Image | (1S,4S)-Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid | C8H10O2

(1S,4S)-Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

  • Molecular FormulaC8H10O2
  • Average mass138.164 Da
  • Monoisotopic mass138.068085 Da
  • ChemSpider ID32697128

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,4S)-Bicyclo[2.2.1]hept-5-en-2-carbonsäure [German] [ACD/IUPAC Name]
(1S,4S)-Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid [ACD/IUPAC Name]
Acide (1S,4S)-bicyclo[2.2.1]hept-5-ène-2-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, (1S,4S)- [ACD/Index Name]
120-74-1 [RN]
204-422-8 [EINECS]
5-Norbornene-2-carboxylic Acid

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

MFCD00085356 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 266.7±19.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 55.5±6.0 kJ/mol
    Flash Point: 120.8±16.2 °C
    Index of Refraction: 1.564
    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: 1.31
    ACD/LogD (pH 5.5): 0.90
    ACD/BCF (pH 5.5): 1.70
    ACD/KOC (pH 5.5): 27.74
    ACD/LogD (pH 7.4): -0.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 37 Å2
    Polarizability: 14.3±0.5 10-24cm3
    Surface Tension: 50.3±3.0 dyne/cm
    Molar Volume: 110.8±3.0 cm3

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