Found 4 results

Search term: MF = 'C_{5}H_{5}D_{3}O_{4}'
ChemSpider 2D Image | (2S)-2-Acetoxy(3,3,3-~2~H_3_)propanoic acid | C5H5D3O4

(2S)-2-Acetoxy(3,3,3-2H3)propanoic acid

  • Molecular FormulaC5H5D3O4
  • Average mass135.133 Da
  • Monoisotopic mass135.061096 Da
  • ChemSpider ID107446378

  • 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-Acetoxy(3,3,3-2H3)propanoic acid [ACD/IUPAC Name]
(2S)-2-Acetoxy(3,3,3-2H3)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-acétoxy(3,3,3-2H3)propanoïque [French] [ACD/IUPAC Name]
Propanoic-3,3,3-d3 acid, 2-(acetyloxy)-, (2S)- [ACD/Index 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: 226.4±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.0±6.0 kJ/mol
Flash Point: 95.2±16.1 °C
Index of Refraction: 1.434
Molar Refractivity: 28.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.16
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 11.3±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 109.6±3.0 cm3

Click to predict properties on the Chemicalize site


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