ChemSpider 2D Image | 3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylethynyl)benzoic acid | C23H24O2

3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylethynyl)benzoic acid

  • Molecular FormulaC23H24O2
  • Average mass332.435 Da
  • Monoisotopic mass332.177643 Da
  • ChemSpider ID25938806

More details:

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

3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylethynyl)benzoic acid
3-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalenyl)ethynyl]benzoic acid [ACD/IUPAC Name]
3-[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-2-naphthalinyl)ethinyl]benzoesäure [German] [ACD/IUPAC Name]
Acide 3-[(5,5,8,8-tétraméthyl-5,6,7,8-tétrahydro-2-naphtalényl)éthynyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)ethynyl]- [ACD/Index Name]
[1010694-08-2] [RN]
1010694-08-2 [RN]
3-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-ylethynyl) benzoic acid
CID 25111943
EC 19
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      Nuclear Receptors Tocris Bioscience 5849
      Retinoic Acid Receptors Tocris Bioscience 5849
      Synthetic analogue of all trans-retinoic acid. Promotes differentiation of human embryonal carcinoma (EC) cells primarily into epithelial-like cells, along with a small number of neurons. Tocris Bioscience 5849
      Synthetic retinoid; induces differentiation of stem cells Tocris Bioscience 5849

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

Density: 1.2±0.1 g/cm3
Boiling Point: 497.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 230.0±23.4 °C
Index of Refraction: 1.611
Molar Refractivity: 100.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 8.21
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 5798.64
ACD/KOC (pH 5.5): 6219.61
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 220.07
ACD/KOC (pH 7.4): 236.04
Polar Surface Area: 37 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 52.5±5.0 dyne/cm
Molar Volume: 288.1±5.0 cm3

Click to predict properties on the Chemicalize site


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