ChemSpider 2D Image | 9-(1,3-Benzodioxol-5-yl)-6-hydroxy-8-(methoxycarbonyl)naphtho[1,2-d][1,3]dioxole-7-carboxylic acid | C21H14O9

9-(1,3-Benzodioxol-5-yl)-6-hydroxy-8-(methoxycarbonyl)naphtho[1,2-d][1,3]dioxole-7-carboxylic acid

  • Molecular FormulaC21H14O9
  • Average mass410.331 Da
  • Monoisotopic mass410.063782 Da
  • ChemSpider ID24655516

More details:

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

9-(1,3-Benzodioxol-5-yl)-6-hydroxy-8-(methoxycarbonyl)naphtho[1,2-d][1,3]dioxol-7-carbonsäure [German] [ACD/IUPAC Name]
9-(1,3-Benzodioxol-5-yl)-6-hydroxy-8-(methoxycarbonyl)naphtho[1,2-d][1,3]dioxole-7-carboxylic acid [ACD/IUPAC Name]
Acide 9-(1,3-benzodioxol-5-yl)-6-hydroxy-8-(méthoxycarbonyl)naphto[1,2-d][1,3]dioxole-7-carboxylique [French] [ACD/IUPAC Name]
Naphtho[1,2-d]-1,3-dioxole-7,8-dicarboxylic acid, 9-(1,3-benzodioxol-5-yl)-6-hydroxy-, 8-methyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 636.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 229.7±25.0 °C
Index of Refraction: 1.710
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.77
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.23
Polar Surface Area: 121 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 79.8±3.0 dyne/cm
Molar Volume: 260.0±3.0 cm3

Click to predict properties on the Chemicalize site


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