ChemSpider 2D Image | (2S)-3-(4-Hydroxyphenyl)-2-methylpropanoic acid | C10H12O3

(2S)-3-(4-Hydroxyphenyl)-2-methylpropanoic acid

  • Molecular FormulaC10H12O3
  • Average mass180.201 Da
  • Monoisotopic mass180.078644 Da
  • ChemSpider ID97396236

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-(4-Hydroxyphenyl)-2-methylpropanoic acid [ACD/IUPAC Name]
(2S)-3-(4-Hydroxyphenyl)-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide (2S)-3-(4-hydroxyphényl)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-hydroxy-α-methyl-, (αS)- [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: 352.1±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.0±3.0 kJ/mol
Flash Point: 180.9±17.4 °C
Index of Refraction: 1.566
Molar Refractivity: 48.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 1.97
ACD/KOC (pH 5.5): 33.08
ACD/LogD (pH 7.4): -0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 19.2±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 148.7±3.0 cm3

Click to predict properties on the Chemicalize site


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