ChemSpider 2D Image | 3,4-Dimethoxyphenylacetonitrile-2,2-d2 | C10H9D2NO2

3,4-Dimethoxyphenylacetonitrile-2,2-d2

  • Molecular FormulaC10H9D2NO2
  • Average mass179.212 Da
  • Monoisotopic mass179.091537 Da
  • ChemSpider ID24532473

  • Non-standard isotope - Non-standard isotope

More details:

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

(3,4-Dimethoxyphenyl)(2H2)acetonitril [German] [ACD/IUPAC Name]
(3,4-Dimethoxyphenyl)(2H2)acetonitrile [ACD/IUPAC Name]
(3,4-Diméthoxyphényl)(2H2)acétonitrile [French] [ACD/IUPAC Name]
3,4-Dimethoxybenzeneacetonitrile-d2
3,4-Dimethoxyphenylacetonitrile-2,2-d2
Benzeneacetonitrile-d2, 3,4-dimethoxy- [ACD/Index Name]
NC1R CO1 DO1 &&Deutero-D2 (-CH2-) [WLN]
1219803-34-5 [RN]
3,4-Dimethoxybenzyl Cyanide
3,4-Dimethoxyphenylacetonitrile-α,α-d2
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 319.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 56.1±3.0 kJ/mol
Flash Point: 116.6±16.4 °C
Index of Refraction: 1.512
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.19
ACD/LogD (pH 5.5): 1.26
ACD/BCF (pH 5.5): 5.39
ACD/KOC (pH 5.5): 116.24
ACD/LogD (pH 7.4): 1.26
ACD/BCF (pH 7.4): 5.39
ACD/KOC (pH 7.4): 116.24
Polar Surface Area: 42 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 163.6±3.0 cm3

Click to predict properties on the Chemicalize site


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