ChemSpider 2D Image | 4-Oxo(19,19,19-~2~H_3_)retinoic acid | C20H23D3O3

4-Oxo(19,19,19-2H3)retinoic acid

  • Molecular FormulaC20H23D3O3
  • Average mass317.437 Da
  • Monoisotopic mass317.207031 Da
  • ChemSpider ID48060377
  • 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

4-Oxo(19,19,19-2H3)retinoic acid [ACD/IUPAC Name]
4-Oxo(19,19,19-2H3)rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid-19,19,19-d3, 4-oxo- [ACD/Index Name]
(2E,4E,6E,8E)-3-methyl-7-(trideuteriomethyl)-9-(2,6,6-trimethyl-3-oxocyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid
1346606-26-5 [RN]
all-trans4-ketoretinoicacid-(9-methyl)-d3

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): 3.40
ACD/BCF (pH 5.5): 142.25
ACD/KOC (pH 5.5): 697.97
ACD/LogD (pH 7.4): 1.60
ACD/BCF (pH 7.4): 2.26
ACD/KOC (pH 7.4): 11.09
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

Click to predict properties on the Chemicalize site






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