ChemSpider 2D Image | (9cis,11cis)-O~15~-Methylretinoic acid | C21H30O2

(9cis,11cis)-O15-Methylretinoic acid

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID111126693

  • Double-bond stereo - Double-bond stereo

More details:

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

(9cis,11cis)-O15-Methylretinoic acid [ACD/IUPAC Name]
(9cis,11cis)-O15-Méthylrétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, O15-methyl-, (9cis,11cis)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 426.1±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 229.8±11.2 °C
Index of Refraction: 1.535
Molar Refractivity: 100.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 6.45
ACD/BCF (pH 5.5): 47048.88
ACD/KOC (pH 5.5): 76947.28
ACD/LogD (pH 7.4): 6.45
ACD/BCF (pH 7.4): 47048.88
ACD/KOC (pH 7.4): 76947.28
Polar Surface Area: 26 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 322.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement