ChemSpider 2D Image | (2S)-2-(4-Methoxyphenyl)propanoic acid | C10H12O3

(2S)-2-(4-Methoxyphenyl)propanoic acid

  • Molecular FormulaC10H12O3
  • Average mass180.201 Da
  • Monoisotopic mass180.078644 Da
  • ChemSpider ID32809796

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(4-Methoxyphenyl)propanoic acid [ACD/IUPAC Name]
(2S)-2-(4-Methoxyphenyl)propansäure [German] [ACD/IUPAC Name]
24470-14-2 [RN]
Acide (2S)-2-(4-méthoxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-methoxy-α-methyl-, (αS)- [ACD/Index Name]
(S)-2-(4-methoxyphenyl)propanoic acid
(S)-2-(4-METHOXYPHENYL)PROPIONIC ACID
MFCD17926450

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 309.4±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.1±3.0 kJ/mol
    Flash Point: 121.5±16.7 °C
    Index of Refraction: 1.528
    Molar Refractivity: 48.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 0.82
    ACD/BCF (pH 5.5): 1.38
    ACD/KOC (pH 5.5): 22.10
    ACD/LogD (pH 7.4): -0.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 47 Å2
    Polarizability: 19.3±0.5 10-24cm3
    Surface Tension: 41.3±3.0 dyne/cm
    Molar Volume: 158.1±3.0 cm3

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