ChemSpider 2D Image | Retinoic acid | C20H28O2

Retinoic acid

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID57576592

  • Double-bond stereo - Double-bond stereo

More details:

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

Retinoic acid [ACD/Index Name] [ACD/IUPAC Name]
Rétinoïque acide [French] [ACD/IUPAC Name]
3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)-nona-2,4,6,8-tetraenoic acid
4759-48-2 [RN]
9-cis-retinoic acid
Isotretinoin [INN] [USP] [Wiki]
MFCD00270072 [MDL number]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 462.8±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 350.6±11.0 °C
Index of Refraction: 1.556
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 3639.63
ACD/KOC (pH 5.5): 7843.65
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 60.50
ACD/KOC (pH 7.4): 130.39
Polar Surface Area: 37 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 297.2±3.0 cm3

Click to predict properties on the Chemicalize site


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