ChemSpider 2D Image | Methyl (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate | C10H12O5

Methyl (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate

  • Molecular FormulaC10H12O5
  • Average mass212.199 Da
  • Monoisotopic mass212.068466 Da
  • ChemSpider ID29781880

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-3-(3,4-Dihydroxyphényl)-2-hydroxypropanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α,3,4-trihydroxy-, methyl ester, (αR)- [ACD/Index Name]
Methyl (2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate [ACD/IUPAC Name]
Methyl-(2R)-3-(3,4-dihydroxyphenyl)-2-hydroxypropanoat [German] [ACD/IUPAC Name]
(R)-methyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
457893-80-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 413.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 166.0±20.8 °C
Index of Refraction: 1.594
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: -0.35
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.19
ACD/KOC (pH 5.5): 39.40
ACD/LogD (pH 7.4): 0.40
ACD/BCF (pH 7.4): 1.18
ACD/KOC (pH 7.4): 39.00
Polar Surface Area: 87 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 153.5±3.0 cm3

Click to predict properties on the Chemicalize site


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