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ChemSpider 2D Image | 15-Oxido-3,4-didehydroretinal | C20H25O2

15-Oxido-3,4-didehydroretinal

  • Molecular FormulaC20H25O2
  • Average mass297.412 Da
  • Monoisotopic mass297.186005 Da
  • ChemSpider ID58170283

  • Charge - Charge

    Double-bond stereo - Double-bond stereo

More details:

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

15-Oxido-3,4-didehydroretinal [German] [ACD/IUPAC Name]
15-Oxido-3,4-didehydroretinal [ACD/IUPAC Name]
15-Oxydo-3,4-didéhydrorétinal [French] [ACD/IUPAC Name]
Retinoic acid, 3,4-didehydro-, ion(1-) [ACD/Index Name]
all-trans-3,4-didehydro retinoate
all-trans-3,4-didehydro retinoate(1-)
all-trans-3,4-Didehydroretinoate
all-trans-3,4-didehydroretinoate(1-)
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion derived from 3,4-desaturation of beta-ionone ring of all-trans-retinoate; major species at pH 7.3. ChEBI CHEBI:132260

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

Density:
Boiling Point: 468.2±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 80.0±6.0 kJ/mol
Flash Point: 355.1±11.0 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 1287.09
ACD/KOC (pH 5.5): 3378.13
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 20.46
ACD/KOC (pH 7.4): 53.69
Polar Surface Area: 40 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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