ChemSpider 2D Image | Methyl (3R)-7-hydroxy-9-oxo-1,2,3,9-tetrahydrocyclopenta[b]chromene-3-carboxylate | C14H12O5

Methyl (3R)-7-hydroxy-9-oxo-1,2,3,9-tetrahydrocyclopenta[b]chromene-3-carboxylate

  • Molecular FormulaC14H12O5
  • Average mass260.242 Da
  • Monoisotopic mass260.068481 Da
  • ChemSpider ID78441547

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-7-Hydroxy-9-oxo-1,2,3,9-tétrahydrocyclopenta[b]chromène-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]cyclopenta[e]pyran-3-carboxylic acid, 1,2,3,9-tetrahydro-7-hydroxy-9-oxo-, methyl ester, (3R)- [ACD/Index Name]
Methyl (3R)-7-hydroxy-9-oxo-1,2,3,9-tetrahydrocyclopenta[b]chromene-3-carboxylate [ACD/IUPAC Name]
Methyl-(3R)-7-hydroxy-9-oxo-1,2,3,9-tetrahydrocyclopenta[b]chromen-3-carboxylat [German] [ACD/IUPAC Name]
(+)-applanatumol Z2

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

Density: 1.4±0.1 g/cm3
Boiling Point: 452.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.0±3.0 kJ/mol
Flash Point: 175.8±22.2 °C
Index of Refraction: 1.632
Molar Refractivity: 64.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.21
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 19.97
ACD/KOC (pH 5.5): 296.72
ACD/LogD (pH 7.4): 2.01
ACD/BCF (pH 7.4): 19.62
ACD/KOC (pH 7.4): 291.57
Polar Surface Area: 73 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 62.5±5.0 dyne/cm
Molar Volume: 180.6±5.0 cm3

Click to predict properties on the Chemicalize site


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