ChemSpider 2D Image | (2S)-2-(3,3,4,4-~2~H_4_)Azetidinecarboxylic acid | C4H3D4NO2

(2S)-2-(3,3,4,4-2H4)Azetidinecarboxylic acid

  • Molecular FormulaC4H3D4NO2
  • Average mass105.129 Da
  • Monoisotopic mass105.072784 Da
  • ChemSpider ID107444797

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S)-2-(3,3,4,4-2H4)Azetidincarbonsäure [German] [ACD/IUPAC Name]
(2S)-2-(3,3,4,4-2H4)Azetidinecarboxylic acid [ACD/IUPAC Name]
2-Azetidine-3,3,4,4-d4-carboxylic acid, (2S)- [ACD/Index Name]
Acide (2S)-2-(3,3,4,4-2H4)azétidinecarboxylique [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: 242.0±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 52.7±6.0 kJ/mol
Flash Point: 100.1±25.4 °C
Index of Refraction: 1.499
Molar Refractivity: 23.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.83
ACD/LogD (pH 5.5): -3.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 9.2±0.5 10-24cm3
Surface Tension: 48.3±3.0 dyne/cm
Molar Volume: 79.3±3.0 cm3

Click to predict properties on the Chemicalize site


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