ChemSpider 2D Image | (6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid | C22H30O4

(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid

  • Molecular FormulaC22H30O4
  • Average mass358.471 Da
  • Monoisotopic mass358.214417 Da
  • ChemSpider ID57566923

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-2-carbonsäure [German] [ACD/IUPAC Name]
(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene-2-carboxylic acid [ACD/IUPAC Name]
23978-89-4 [RN]
6H-Dibenzo[b,d]pyran-2-carboxylic acid, 6a,7,10,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-3-pentyl-, (6aR,10aR)- [ACD/Index Name]
Acide (6aR,10aR)-1-hydroxy-6,6,9-triméthyl-3-pentyl-6a,7,10,10a-tétrahydro-6H-benzo[c]chromène-2-carboxylique [French] [ACD/IUPAC Name]
(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-2-carboxylic acid
(6aR,10aR)-6a,7,10,10a-tetrahydro-1-hydroxy-6,6,9-trimethyl-3-pentyl-6H-dibenzo[b,d]pyran-2-carboxylic acid
trans-δ8-Tetrahydrocannabinolic acid
δ-8-Tetrahydrocannabinolic acid a
Δ8-THCA-A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 429.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.2±3.0 kJ/mol
Flash Point: 139.1±22.2 °C
Index of Refraction: 1.548
Molar Refractivity: 102.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.26
ACD/LogD (pH 5.5): 5.13
ACD/BCF (pH 5.5): 1000.03
ACD/KOC (pH 5.5): 787.38
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 443.20
ACD/KOC (pH 7.4): 348.95
Polar Surface Area: 67 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 322.3±3.0 cm3

Click to predict properties on the Chemicalize site


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