ChemSpider 2D Image | 7,7'-Dimethoxy-5'-(methoxycarbonyl)-4,4'-bi-1,3-benzodioxole-5-carboxylic acid | C19H16O10

7,7'-Dimethoxy-5'-(methoxycarbonyl)-4,4'-bi-1,3-benzodioxole-5-carboxylic acid

  • Molecular FormulaC19H16O10
  • Average mass404.324 Da
  • Monoisotopic mass404.074341 Da
  • ChemSpider ID62997772

More details:

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

[4,4'-Bi-1,3-benzodioxole]-5,5'-dicarboxylic acid, 7,7'-dimethoxy-, monomethyl ester [ACD/Index Name]
7,7'-Dimethoxy-5'-(methoxycarbonyl)-4,4'-bi-1,3-benzodioxol-5-carbonsäure [German] [ACD/IUPAC Name]
7,7'-Dimethoxy-5'-(methoxycarbonyl)-4,4'-bi-1,3-benzodioxole-5-carboxylic acid [ACD/IUPAC Name]
Acide 7,7'-diméthoxy-5'-(méthoxycarbonyl)-4,4'-bi-1,3-benzodioxole-5-carboxylique [French] [ACD/IUPAC Name]
205117-47-1 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 590.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 212.6±23.6 °C
Index of Refraction: 1.608
Molar Refractivity: 95.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.46
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 61.6±3.0 dyne/cm
Molar Volume: 275.5±3.0 cm3

Click to predict properties on the Chemicalize site


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