ChemSpider 2D Image | Methyl (1S)-1,8-dihydroxy-6-methyl-9-oxo-1,9-dihydrocyclopenta[b]chromene-1-carboxylate | C15H12O6

Methyl (1S)-1,8-dihydroxy-6-methyl-9-oxo-1,9-dihydrocyclopenta[b]chromene-1-carboxylate

  • Molecular FormulaC15H12O6
  • Average mass288.252 Da
  • Monoisotopic mass288.063385 Da
  • ChemSpider ID35516762

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1,8-Dihydroxy-6-méthyl-9-oxo-1,9-dihydrocyclopenta[b]chromène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Benzo[b]cyclopenta[e]pyran-1-carboxylic acid, 1,9-dihydro-1,8-dihydroxy-6-methyl-9-oxo-, methyl ester, (1S)- [ACD/Index Name]
Methyl (1S)-1,8-dihydroxy-6-methyl-9-oxo-1,9-dihydrocyclopenta[b]chromene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1S)-1,8-dihydroxy-6-methyl-9-oxo-1,9-dihydrocyclopenta[b]chromen-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 519.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 199.8±23.6 °C
Index of Refraction: 1.678
Molar Refractivity: 70.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.99
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.07
ACD/KOC (pH 5.5): 522.96
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 43.60
ACD/KOC (pH 7.4): 517.43
Polar Surface Area: 93 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 74.4±5.0 dyne/cm
Molar Volume: 186.9±5.0 cm3

Click to predict properties on the Chemicalize site


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