ChemSpider 2D Image | [4-Hydroxy(~2~H_4_)phenyl](~2~H_2_)acetic acid | C8H2D6O3

[4-Hydroxy(2H4)phenyl](2H2)acetic acid

  • Molecular FormulaC8H2D6O3
  • Average mass158.184 Da
  • Monoisotopic mass158.085007 Da
  • ChemSpider ID60498096

  • Non-standard isotope - Non-standard isotope

More details:

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

[4-Hydroxy(2H4)phenyl](2H2)acetic acid [ACD/IUPAC Name]
[4-Hydroxy(2H4)phenyl](2H2)essigsäure [German] [ACD/IUPAC Name]
Acide [4-hydroxy(2H4)phényl](2H2)acétique [French] [ACD/IUPAC Name]
Benzene-2,3,5,6-d4-acetic-d2 acid, 4-hydroxy- [ACD/Index Name]
(4-Hydroxyphenyl-2,3,5,6-d4)acetic-2,2-d2 Acid
100287-06-7 [RN]
645-08-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 346.6±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 177.6±17.4 °C
Index of Refraction: 1.596
Molar Refractivity: 39.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.40
ACD/LogD (pH 7.4): -1.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 115.3±3.0 cm3

Click to predict properties on the Chemicalize site


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