ChemSpider 2D Image | (3S)-2-(2-Methoxyphenyl)-5-oxotetrahydro-3-furancarboxylic acid | C12H12O5

(3S)-2-(2-Methoxyphenyl)-5-oxotetrahydro-3-furancarboxylic acid

  • Molecular FormulaC12H12O5
  • Average mass236.221 Da
  • Monoisotopic mass236.068466 Da
  • ChemSpider ID52563380

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-2-(2-Methoxyphenyl)-5-oxotetrahydro-3-furancarbonsäure [German] [ACD/IUPAC Name]
(3S)-2-(2-Methoxyphenyl)-5-oxotetrahydro-3-furancarboxylic acid [ACD/IUPAC Name]
3-Furancarboxylic acid, tetrahydro-2-(2-methoxyphenyl)-5-oxo-, (3S)- [ACD/Index Name]
Acide (3S)-2-(2-méthoxyphényl)-5-oxotétrahydro-3-furanecarboxylique [French] [ACD/IUPAC Name]
(3S)-2-(2-METHOXYPHENYL)-5-OXOTETRAHYDROFURAN-3-CARBOXYLIC ACID
117645-45-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 190.6±22.2 °C
Index of Refraction: 1.563
Molar Refractivity: 57.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -1.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 176.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement