ChemSpider 2D Image | (13cis)-4-Oxo(18,18,18-~2~H_3_)retinoic acid | C20H23D3O3

(13cis)-4-Oxo(18,18,18-2H3)retinoic acid

  • Molecular FormulaC20H23D3O3
  • Average mass317.437 Da
  • Monoisotopic mass317.207031 Da
  • ChemSpider ID48060376
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(13cis)-4-Oxo(18,18,18-2H3)retinoic acid [ACD/IUPAC Name]
(13cis)-4-Oxo(18,18,18-2H3)rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid-18,18,18-d3, 4-oxo-, (13cis)- [ACD/Index Name]
(2Z,4E,6E,8E)-9-[6,6-dimethyl-3-oxo-2-(trideuteriomethyl)cyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid
1185241-31-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 509.9±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 85.4±6.0 kJ/mol
Flash Point: 276.3±20.8 °C
Index of Refraction: 1.565
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 152.59
ACD/KOC (pH 5.5): 748.68
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 11.97
Polar Surface Area: 54 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 293.6±3.0 cm3

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