ChemSpider 2D Image | 9-nor-9β-Hydroxyhexahydrocannabinol | C20H30O3

9-nor-9β-Hydroxyhexahydrocannabinol

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID23232433

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6aR,9R,10aR)-6,6-Dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromen-1,9-diol [German] [ACD/IUPAC Name]
(6aR,9R,10aR)-6,6-Dimethyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromene-1,9-diol [ACD/IUPAC Name]
(6aR,9R,10aR)-6,6-Diméthyl-3-pentyl-6a,7,8,9,10,10a-hexahydro-6H-benzo[c]chromène-1,9-diol [French] [ACD/IUPAC Name]
6H-Dibenzo[b,d]pyran-1,9-diol, 6a,7,8,9,10,10a-hexahydro-6,6-dimethyl-3-pentyl-, (6aR,9R,10aR)- [ACD/Index Name]
9-nor-9β-Hydroxyhexahydrocannabinol
9-nor-9β-Hydroxyhexahydrocannabinol [Wiki]
59685-28-8 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL351879/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 418.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 207.0±28.7 °C
Index of Refraction: 1.541
Molar Refractivity: 92.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 5.49
ACD/BCF (pH 5.5): 8724.59
ACD/KOC (pH 5.5): 23034.04
ACD/LogD (pH 7.4): 5.49
ACD/BCF (pH 7.4): 8696.15
ACD/KOC (pH 7.4): 22958.97
Polar Surface Area: 50 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 295.4±3.0 cm3

Click to predict properties on the Chemicalize site


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