ChemSpider 2D Image | [4-Methoxy(2,3,5-~2~H_3_)phenyl](~2~H_3_)acetic acid | C9H4D6O3

[4-Methoxy(2,3,5-2H3)phenyl](2H3)acetic acid

  • Molecular FormulaC9H4D6O3
  • Average mass172.211 Da
  • Monoisotopic mass172.100662 Da
  • ChemSpider ID110407698

  • Non-standard isotope - Non-standard isotope

More details:

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

[4-Methoxy(2,3,5-2H3)phenyl](2H3)acetic acid [ACD/IUPAC Name]
[4-Methoxy(2,3,5-2H3)phenyl](2H3)essigsäure [German] [ACD/IUPAC Name]
Acide [4-méthoxy(2,3,5-2H3)phényl](2H3)acétique [French] [ACD/IUPAC Name]
Benzene-2,3,5-d3-acetic-d2 acid-d, 4-methoxy- [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: 306.0±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.7±3.0 kJ/mol
Flash Point: 124.3±14.4 °C
Index of Refraction: 1.538
Molar Refractivity: 44.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.42
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.81
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 140.9±3.0 cm3

Click to predict properties on the Chemicalize site


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