Found 1 result

Search term: 58196909 (Found by CSID)
ChemSpider 2D Image | (2R,3S)-3-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-2-isopropenyl-4-indanecarbaldehyde | C21H20Cl2O5

(2R,3S)-3-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-2-isopropenyl-4-indanecarbaldehyde

  • Molecular FormulaC21H20Cl2O5
  • Average mass423.286 Da
  • Monoisotopic mass422.068787 Da
  • ChemSpider ID58196909

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,3S)-3-(3,5-Dichlor-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-2-isopropenyl-4-indancarbaldehyd [German] [ACD/IUPAC Name]
(2R,3S)-3-(3,5-Dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-5,7-dihydroxy-2-isopropenyl-4-indanecarbaldehyde [ACD/IUPAC Name]
(2R,3S)-3-(3,5-Dichloro-2-hydroxy-6-méthoxy-4-méthylphényl)-5,7-dihydroxy-2-isopropényl-4-indanecarbaldéhyde [French] [ACD/IUPAC Name]
1H-Indene-4-carboxaldehyde, 3-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-2,3-dihydro-5,7-dihydroxy-2-(1-methylethenyl)-, (2R,3S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 526.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.1±3.0 kJ/mol
Flash Point: 272.4±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 109.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.20
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39564.98
ACD/KOC (pH 5.5): 67695.27
ACD/LogD (pH 7.4): 5.97
ACD/BCF (pH 7.4): 16364.76
ACD/KOC (pH 7.4): 27999.93
Polar Surface Area: 87 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 299.4±3.0 cm3

Click to predict properties on the Chemicalize site


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