Found 5 results

Search term: VLNBIKFXSILIOC (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S,3S)-3-[(2-Phenylethoxy)carbonyl]-2-oxiranecarboxylic acid | C12H12O5

(2S,3S)-3-[(2-Phenylethoxy)carbonyl]-2-oxiranecarboxylic acid

  • Molecular FormulaC12H12O5
  • Average mass236.221 Da
  • Monoisotopic mass236.068466 Da
  • ChemSpider ID57460061

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,3S)-3-[(2-Phenylethoxy)carbonyl]-2-oxirancarbonsäure [German] [ACD/IUPAC Name]
(2S,3S)-3-[(2-Phenylethoxy)carbonyl]-2-oxiranecarboxylic acid [ACD/IUPAC Name]
2,3-Oxiranedicarboxylic acid, mono(2-phenylethyl) ester, (2S,3S)- [ACD/Index Name]
Acide (2S,3S)-3-[(2-phényléthoxy)carbonyl]-2-oxiranecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 408.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.7±3.0 kJ/mol
Flash Point: 160.2±22.2 °C
Index of Refraction: 1.580
Molar Refractivity: 57.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.34
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 171.4±3.0 cm3

Click to predict properties on the Chemicalize site


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