ChemSpider 2D Image | 3-[3-Carboxy-2-(dihydroxymethylene)-6,7-dihydroxy-1,2-dihydro-1-naphthalenyl]-2-oxo-2H-pyran-6-carboxylic acid | C18H12O10

3-[3-Carboxy-2-(dihydroxymethylene)-6,7-dihydroxy-1,2-dihydro-1-naphthalenyl]-2-oxo-2H-pyran-6-carboxylic acid

  • Molecular FormulaC18H12O10
  • Average mass388.282 Da
  • Monoisotopic mass388.043060 Da
  • ChemSpider ID95562167

More details:

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

2H-Pyran-6-carboxylic acid, 3-[3-carboxy-2-(dihydroxymethylene)-1,2-dihydro-6,7-dihydroxy-1-naphthalenyl]-2-oxo- [ACD/Index Name]
3-[3-Carboxy-2-(dihydroxymethylen)-6,7-dihydroxy-1,2-dihydro-1-naphthalinyl]-2-oxo-2H-pyran-6-carbonsäure [German] [ACD/IUPAC Name]
3-[3-Carboxy-2-(dihydroxymethylene)-6,7-dihydroxy-1,2-dihydro-1-naphthalenyl]-2-oxo-2H-pyran-6-carboxylic acid [ACD/IUPAC Name]
Acide 3-[3-carboxy-2-(dihydroxyméthylène)-6,7-dihydroxy-1,2-dihydro-1-naphtalényl]-2-oxo-2H-pyrane-6-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 774.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 284.5±26.4 °C
Index of Refraction: 1.815
Molar Refractivity: 87.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.25
ACD/LogD (pH 5.5): -4.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 131.7±3.0 dyne/cm
Molar Volume: 203.0±3.0 cm3

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