ChemSpider 2D Image | Ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate | C13H16O4

Ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate

  • Molecular FormulaC13H16O4
  • Average mass236.264 Da
  • Monoisotopic mass236.104858 Da
  • ChemSpider ID25057144

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2-(4-Hydroxy-3-méthoxyphényl)cyclopropanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-(4-hydroxy-3-methoxyphenyl)-, ethyl ester, (1S,2S)- [ACD/Index Name]
Ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate [ACD/IUPAC Name]
Ethyl-(1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
EMF

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

Density: 1.2±0.1 g/cm3
Boiling Point: 350.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.8±3.0 kJ/mol
Flash Point: 130.0±21.4 °C
Index of Refraction: 1.557
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 1.78
ACD/BCF (pH 5.5): 13.35
ACD/KOC (pH 5.5): 222.51
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.34
ACD/KOC (pH 7.4): 222.18
Polar Surface Area: 56 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 194.0±3.0 cm3

Click to predict properties on the Chemicalize site


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