ChemSpider 2D Image | (2,2-~2~H_2_)-1,3-Benzodioxole-5-carboxylic acid | C8H4D2O4

(2,2-2H2)-1,3-Benzodioxole-5-carboxylic acid

  • Molecular FormulaC8H4D2O4
  • Average mass168.143 Da
  • Monoisotopic mass168.039169 Da
  • ChemSpider ID24607259
  • Non-standard isotope - Non-standard isotope


More details:






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

(2,2-2H2)-1,3-Benzodioxol-5-carbonsäure [German] [ACD/IUPAC Name]
(2,2-2H2)-1,3-Benzodioxole-5-carboxylic acid [ACD/IUPAC Name]
1,3-Benzodioxole-2,2-d2-5-carboxylic acid [ACD/Index Name]
Acide (2,2-2H2)-1,3-benzodioxole-5-carboxylique [French] [ACD/IUPAC Name]
(2,2-2H2)-1,3-dioxaindane-5-carboxylic acid
(2,2-2H2)-2H-1,3-benzodioxole-5-carboxylic acid
2138554-85-3 [RN]
PIPERONYLIC ACID-2,2-D2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 324.6±31.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 59.8±3.0 kJ/mol
Flash Point: 139.6±18.3 °C
Index of Refraction: 1.612
Molar Refractivity: 39.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.65
ACD/LogD (pH 7.4): -1.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 56 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 113.1±3.0 cm3

Click to predict properties on the Chemicalize site






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