ChemSpider 2D Image | (2S)-2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid | C10H12O5

(2S)-2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

  • Molecular FormulaC10H12O5
  • Average mass212.199 Da
  • Monoisotopic mass212.068466 Da
  • ChemSpider ID58802321

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid [ACD/IUPAC Name]
(2S)-2-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)propansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-hydroxy-3-(4-hydroxy-3-méthoxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α,4-dihydroxy-3-methoxy-, (αS)- [ACD/Index Name]
(S)-2-Hydroxy-3-(4-Hydroxy-3-Methoxyphenyl)Propanoic Acid
313952-20-4 [RN]
MFCD30471858

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 432.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.6±3.0 kJ/mol
    Flash Point: 174.4±20.8 °C
    Index of Refraction: 1.593
    Molar Refractivity: 52.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.02
    ACD/LogD (pH 5.5): -1.87
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.28
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 87 Å2
    Polarizability: 20.6±0.5 10-24cm3
    Surface Tension: 62.0±3.0 dyne/cm
    Molar Volume: 153.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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