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Search term: 22943191 (Found by CSID)
ChemSpider 2D Image | 3-Hydroxy-4,4,6a,12b-tetramethyl-11-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[2,3-b]chromene-9-carboxylic acid | C21H28O6

3-Hydroxy-4,4,6a,12b-tetramethyl-11-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[2,3-b]chromene-9-carboxylic acid

  • Molecular FormulaC21H28O6
  • Average mass376.443 Da
  • Monoisotopic mass376.188599 Da
  • ChemSpider ID22943191

More details:

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

2H,11H-Naphtho[2,1-b]pyrano[3,2-e]pyran-9-carboxylic acid, 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-3-hydroxy-4,4,6a,12b-tetramethyl-11-oxo- [ACD/Index Name]
3-Hydroxy-4,4,6a,12b-tetramethyl-11-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[2,3-b]chromen-9-carbonsäure [German] [ACD/IUPAC Name]
3-Hydroxy-4,4,6a,12b-tetramethyl-11-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[2,3-b]chromene-9-carboxylic acid [ACD/IUPAC Name]
Acide 3-hydroxy-4,4,6a,12b-tétraméthyl-11-oxo-1,3,4,4a,5,6,6a,12,12a,12b-décahydro-2H,11H-benzo[f]pyrano[2,3-b]chromène-9-carboxylique [French] [ACD/IUPAC Name]
5-Hydroxy-2,6,6,10-tetramethyl-16-oxo-11,13-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),14-diene-14-carboxylic acid
Compound NP-013854

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 187.4±23.6 °C
Index of Refraction: 1.587
Molar Refractivity: 97.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.64
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 93 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 288.6±5.0 cm3

Click to predict properties on the Chemicalize site


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