ChemSpider 2D Image | (9cis,13cis)-O~15~-[2-(4-Methoxyphenyl)-2-oxoethyl]retinoic acid | C29H36O4

(9cis,13cis)-O15-[2-(4-Methoxyphenyl)-2-oxoethyl]retinoic acid

  • Molecular FormulaC29H36O4
  • Average mass448.594 Da
  • Monoisotopic mass448.261353 Da
  • ChemSpider ID30784540
  • Double-bond stereo - Double-bond stereo


More details:






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

(9cis,13cis)-O15-[2-(4-Methoxyphenyl)-2-oxoethyl]retinoic acid [ACD/IUPAC Name]
(9cis,13cis)-O15-[2-(4-Méthoxyphényl)-2-oxoéthyl]rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, O15-[2-(4-methoxyphenyl)-2-oxoethyl]-, (9cis,13cis)- [ACD/Index Name]
(2Z,4E,6E,8E)-2-(4-Methoxyphenyl)-2-oxoethyl 3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoate
[127471-94-7] [RN]
127471-94-7 [RN]
2-(13-cis-Retinoyloxy)-4'-methoxyacetophenone
MFCD26967864

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

Density: 1.1±0.1 g/cm3
Boiling Point: 594.8±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.7±3.0 kJ/mol
Flash Point: 251.2±24.6 °C
Index of Refraction: 1.560
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 8.90
ACD/LogD (pH 5.5): 7.86
ACD/BCF (pH 5.5): 551516.56
ACD/KOC (pH 5.5): 448104.31
ACD/LogD (pH 7.4): 7.86
ACD/BCF (pH 7.4): 551516.56
ACD/KOC (pH 7.4): 448104.31
Polar Surface Area: 53 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 40.3±3.0 dyne/cm
Molar Volume: 422.4±3.0 cm3

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