Found 7 results

Search term: LNIFCHLLDTWCIH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl (2S)-2-(4-methoxyphenyl)cyclopropanecarboxylate | C13H16O3

Ethyl (2S)-2-(4-methoxyphenyl)cyclopropanecarboxylate

  • Molecular FormulaC13H16O3
  • Average mass220.264 Da
  • Monoisotopic mass220.109940 Da
  • ChemSpider ID73518330

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2S)-2-(4-Méthoxyphényl)cyclopropanecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2-(4-methoxyphenyl)-, ethyl ester, (2S)- [ACD/Index Name]
Ethyl (2S)-2-(4-methoxyphenyl)cyclopropanecarboxylate [ACD/IUPAC Name]
Ethyl-(2S)-2-(4-methoxyphenyl)cyclopropancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 309.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.0±3.0 kJ/mol
Flash Point: 126.3±20.5 °C
Index of Refraction: 1.531
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.49
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.18
ACD/KOC (pH 5.5): 638.00
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.18
ACD/KOC (pH 7.4): 638.00
Polar Surface Area: 36 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 195.5±3.0 cm3

Click to predict properties on the Chemicalize site


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