ChemSpider 2D Image | 3-Formyl-2,2-dimethyl-5,5-bis[(~2~H_3_)methyl]-1,3-thiazolidine-4-carboxylic acid | C9H9D6NO3S

3-Formyl-2,2-dimethyl-5,5-bis[(2H3)methyl]-1,3-thiazolidine-4-carboxylic acid

  • Molecular FormulaC9H9D6NO3S
  • Average mass223.322 Da
  • Monoisotopic mass223.114929 Da
  • ChemSpider ID110417826

  • Non-standard isotope - Non-standard isotope

More details:

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

3-Formyl-2,2-dimethyl-5,5-bis[(2H3)methyl]-1,3-thiazolidin-4-carbonsäure [German] [ACD/IUPAC Name]
3-Formyl-2,2-dimethyl-5,5-bis[(2H3)methyl]-1,3-thiazolidine-4-carboxylic acid [ACD/IUPAC Name]
4-Thiazolidinecarboxylic acid, 3-formyl-2,2-dimethyl-5,5-di(methyl-d3)- [ACD/Index Name]
Acide 3-formyl-2,2-diméthyl-5,5-bis[(2H3)méthyl]-1,3-thiazolidine-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 393.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.6±6.0 kJ/mol
Flash Point: 191.5±27.9 °C
Index of Refraction: 1.564
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 48.4±3.0 dyne/cm
Molar Volume: 174.9±3.0 cm3

Click to predict properties on the Chemicalize site


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