ChemSpider 2D Image | 8-(MeOcarbonyl)-1-OH-9-oxo-9H-xanthene-3 | C16H10O7

8-(MeOcarbonyl)-1-OH-9-oxo-9H-xanthene-3

  • Molecular FormulaC16H10O7
  • Average mass314.246 Da
  • Monoisotopic mass314.042664 Da
  • ChemSpider ID26949177

More details:

Featured data source
Natural Product Updates

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

1-Hydroxy-8-(methoxycarbonyl)-9-oxo-9H-xanthen-3-carbonsäure [German] [ACD/IUPAC Name]
1-Hydroxy-8-(methoxycarbonyl)-9-oxo-9H-xanthene-3-carboxylic acid [ACD/IUPAC Name]
8-(MeOcarbonyl)-1-OH-9-oxo-9H-xanthene-3
9H-Xanthene-1,6-dicarboxylic acid, 8-hydroxy-9-oxo-, 1-methyl ester [ACD/Index Name]
Acide 1-hydroxy-8-(méthoxycarbonyl)-9-oxo-9H-xanthène-3-carboxylique [French] [ACD/IUPAC Name]
8-(methoxycarbonyl)-1-hydroxy-9-oxo-9H-xanthene-3-carboxylic acid
8‐(methoxycarbonyl)‐1‐hydroxy‐9‐oxo‐9H‐xanthene‐3‐carboxylic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 598.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 228.7±23.6 °C
Index of Refraction: 1.676
Molar Refractivity: 76.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 1.39
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 12.68
ACD/LogD (pH 7.4): 0.06
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 202.5±3.0 cm3

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