ChemSpider 2D Image | Keto Tamibarotene | C22H23NO4

Keto Tamibarotene

  • Molecular FormulaC22H23NO4
  • Average mass365.422 Da
  • Monoisotopic mass365.162720 Da
  • ChemSpider ID23977164

More details:

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

162661-91-8 [RN]
4-[(5,5,8,8-Tetramethyl-6-oxo-5,6,7,8-tetrahydro-2-naphthalenyl)carbamoyl]benzoic acid [ACD/IUPAC Name]
4-[(5,5,8,8-Tetramethyl-6-oxo-5,6,7,8-tetrahydro-2-naphthalinyl)carbamoyl]benzoesäure [German] [ACD/IUPAC Name]
Acide 4-[(5,5,8,8-tétraméthyl-6-oxo-5,6,7,8-tétrahydro-2-naphtalényl)carbamoyl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-6-oxo-2-naphthalenyl)amino]carbonyl]- [ACD/Index Name]
Keto Tamibarotene
4-[(5,5,8,8-Tetramethyl-6-oxo-5,6,7,8-tetrahydronaphthalen-2-yl)carbamoyl]benzoic acid
4-[(5,5,8,8-tetramethyl-6-oxo-7H-naphthalen-2-yl)carbamoyl]benzoic acid
4-[[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-6-oxo-2-naphthalenyl)amino]carbonyl]
KetoTamibarotene

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

Density: 1.2±0.1 g/cm3
Boiling Point: 486.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 247.7±28.7 °C
Index of Refraction: 1.603
Molar Refractivity: 103.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 10.85
ACD/KOC (pH 5.5): 60.27
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.24
Polar Surface Area: 83 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 301.0±3.0 cm3

Click to predict properties on the Chemicalize site


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