ChemSpider 2D Image | 2-{[(~2~H_3_)Methyloxy]carbonyl}(~2~H_4_)benzoic acid | C9HD7O4

2-{[(2H3)Methyloxy]carbonyl}(2H4)benzoic acid

  • Molecular FormulaC9HD7O4
  • Average mass187.201 Da
  • Monoisotopic mass187.086197 Da
  • ChemSpider ID111328774

  • Non-standard isotope - Non-standard isotope

More details:

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

1,2-Benzene-d4-dicarboxylic acid, monomethyl-d3 ester [ACD/Index Name]
2-{[(2H3)Methyloxy]carbonyl}(2H4)benzoesäure [German] [ACD/IUPAC Name]
2-{[(2H3)Methyloxy]carbonyl}(2H4)benzoic acid [ACD/IUPAC Name]
Acide 2-{[(2H3)méthyloxy]carbonyl}(2H4)benzoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 328.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 134.7±16.7 °C
Index of Refraction: 1.556
Molar Refractivity: 45.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 17.8±0.5 10-24cm3
Surface Tension: 51.3±3.0 dyne/cm
Molar Volume: 139.9±3.0 cm3

Click to predict properties on the Chemicalize site


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