ChemSpider 2D Image | Retinoic acid | C20H28O2

Retinoic acid

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID88293832

  • 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]
11-cis Retinoic Acid
11-cis,¹³Cis-Retinoic Acid
302-79-4 [RN]
3555-80-4 [RN]
4759-48-2 [RN]
5300-03-8 [RN]
5352-74-9 [RN]
68070-35-9 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00001551 [DBID]
  • Miscellaneous

    • Chemical Class:

      A retinoid consisting of 3,7-dimethylnona-2,4,6,8-tetraenoic acid substituted at position 9 by a 2,6,6-trimethylcyclohex-1-en-1-yl group (geometry of the four exocyclic double bonds is not specified). ChEBI CHEBI:26536

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

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): 5.06
ACD/BCF (pH 5.5): 2580.25
ACD/KOC (pH 5.5): 5560.61
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 41.02
ACD/KOC (pH 7.4): 88.40
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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