ChemSpider 2D Image | [(2S)-7-Hydroxy-4-oxo-2-(2-oxopropyl)-3,4-dihydro-2H-chromen-5-yl]acetic acid | C14H14O6

[(2S)-7-Hydroxy-4-oxo-2-(2-oxopropyl)-3,4-dihydro-2H-chromen-5-yl]acetic acid

  • Molecular FormulaC14H14O6
  • Average mass278.257 Da
  • Monoisotopic mass278.079041 Da
  • ChemSpider ID35516676

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-7-Hydroxy-4-oxo-2-(2-oxopropyl)-3,4-dihydro-2H-chromen-5-yl]acetic acid [ACD/IUPAC Name]
[(2S)-7-Hydroxy-4-oxo-2-(2-oxopropyl)-3,4-dihydro-2H-chromen-5-yl]essigsäure [German] [ACD/IUPAC Name]
2H-1-Benzopyran-5-acetic acid, 3,4-dihydro-7-hydroxy-4-oxo-2-(2-oxopropyl)-, (2S)- [ACD/Index Name]
Acide [(2S)-7-hydroxy-4-oxo-2-(2-oxopropyl)-3,4-dihydro-2H-chromén-5-yl]acétique [French] [ACD/IUPAC Name]
Corynechromone I

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

Density: 1.4±0.1 g/cm3
Boiling Point: 583.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.7±3.0 kJ/mol
Flash Point: 225.3±23.6 °C
Index of Refraction: 1.583
Molar Refractivity: 67.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.78
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.51
ACD/LogD (pH 7.4): -2.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 200.9±3.0 cm3

Click to predict properties on the Chemicalize site


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