Found 11 results

Search term: YPGCWEMNNLXISK (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 2-Phenyl(3-~2~H_1_)propanoic acid | C9H9DO2

2-Phenyl(3-2H1)propanoic acid

  • Molecular FormulaC9H9DO2
  • Average mass151.181 Da
  • Monoisotopic mass151.074356 Da
  • ChemSpider ID77360473
  • Non-standard isotope - Non-standard isotope


More details:






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

2-Phenyl(3-2H1)propanoic acid [ACD/IUPAC Name]
2-Phenyl(3-2H1)propansäure [German] [ACD/IUPAC Name]
Acide 2-phényl(3-2H1)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-(methyl-d)- [ACD/Index Name]
2-Phenylpropanoic-3-d acid
85020-77-5 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 261.0±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 154.3±13.9 °C
Index of Refraction: 1.539
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 15.69
ACD/LogD (pH 7.4): -1.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 37 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 134.1±3.0 cm3

Click to predict properties on the Chemicalize site






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