Found 6 results

Search term: PYJMOWDBOPKFBI (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl (2aS,4aS,7aS)-2a-hydroxy-2a,4a,7a,7b-tetrahydro-2H-1,7-dioxacyclopenta[cd]indene-5-carboxylate | C11H12O5

Methyl (2aS,4aS,7aS)-2a-hydroxy-2a,4a,7a,7b-tetrahydro-2H-1,7-dioxacyclopenta[cd]indene-5-carboxylate

  • Molecular FormulaC11H12O5
  • Average mass224.210 Da
  • Monoisotopic mass224.068466 Da
  • ChemSpider ID57576813

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2aS,4aS,7aS)-2a-Hydroxy-2a,4a,7a,7b-tétrahydro-2H-1,7-dioxacyclopenta[cd]indène-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-1,7-Dioxacyclopent[cd]indene-5-carboxylic acid, 2a,4a,7a,7b-tetrahydro-2a-hydroxy-, methyl ester, (2aS,4aS,7aS)- [ACD/Index Name]
Methyl (2aS,4aS,7aS)-2a-hydroxy-2a,4a,7a,7b-tetrahydro-2H-1,7-dioxacyclopenta[cd]indene-5-carboxylate [ACD/IUPAC Name]
Methyl-(2aS,4aS,7aS)-2a-hydroxy-2a,4a,7a,7b-tetrahydro-2H-1,7-dioxacyclopenta[cd]inden-5-carboxylat [German] [ACD/IUPAC Name]
144868-43-9 [RN]
Garjasmin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 381.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.9±6.0 kJ/mol
Flash Point: 152.8±21.4 °C
Index of Refraction: 1.601
Molar Refractivity: 52.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.16
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.16
Polar Surface Area: 65 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 153.2±3.0 cm3

Click to predict properties on the Chemicalize site


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