ChemSpider 2D Image | Methyl (2R)-2-[4-(3-thienyl)phenyl]propanoate | C14H14O2S

Methyl (2R)-2-[4-(3-thienyl)phenyl]propanoate

  • Molecular FormulaC14H14O2S
  • Average mass246.325 Da
  • Monoisotopic mass246.071457 Da
  • ChemSpider ID32787834

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-[4-(3-Thiényl)phényl]propanoate de méthyle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-methyl-4-(3-thienyl)-, methyl ester, (αR)- [ACD/Index Name]
Methyl (2R)-2-[4-(3-thienyl)phenyl]propanoate [ACD/IUPAC Name]
Methyl-(2R)-2-[4-(3-thienyl)phenyl]propanoat [German] [ACD/IUPAC Name]
108912-17-0 [RN]
UNII-J4387865F3

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

IDPH-8261 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 322.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 148.9±24.6 °C
Index of Refraction: 1.565
Molar Refractivity: 69.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 605.33
ACD/KOC (pH 5.5): 3411.55
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 605.33
ACD/KOC (pH 7.4): 3411.55
Polar Surface Area: 55 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 214.3±3.0 cm3

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