ChemSpider 2D Image | (2E)-3-[4-Hydroxy(~2~H_4_)phenyl](~2~H_2_)-2-propenoic acid | C9H2D6O3

(2E)-3-[4-Hydroxy(2H4)phenyl](2H2)-2-propenoic acid

  • Molecular FormulaC9H2D6O3
  • Average mass170.195 Da
  • Monoisotopic mass170.085007 Da
  • ChemSpider ID30773515
  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope


More details:






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

(2E)-3-[4-Hydroxy(2H4)phenyl](2H2)-2-propenoic acid [ACD/IUPAC Name]
(2E)-3-[4-Hydroxy(2H4)phenyl](2H2)-2-propensäure [German] [ACD/IUPAC Name]
2-Propenoic-2,3-d2 acid, 3-(4-hydroxyphenyl-2,3,5,6-d4)-, (2E)- [ACD/Index Name]
Acide (2E)-3-[4-hydroxy(2H4)phényl](2H2)-2-propénoïque [French] [ACD/IUPAC Name]
1515410-82-8 [RN]
p-coumaric acid [Wiki]
p-Hydroxycinnamic acid
trans-4-Hydroxycinnamic-α,β,2,3,5,6-d6
trans-4-Hydroxycinnamic-α,β,2,3,5,6-d6 Acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 346.1±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.3±3.0 kJ/mol
Flash Point: 177.3±17.4 °C
Index of Refraction: 1.660
Molar Refractivity: 45.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.91
ACD/LogD (pH 7.4): -1.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 62.4±3.0 dyne/cm
Molar Volume: 123.5±3.0 cm3

Click to predict properties on the Chemicalize site






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