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Search term: BYBZRPDCTRBPTM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Diethyl (2S)-2-cyanosuccinate | C9H13NO4

Diethyl (2S)-2-cyanosuccinate

  • Molecular FormulaC9H13NO4
  • Average mass199.204 Da
  • Monoisotopic mass199.084457 Da
  • ChemSpider ID30991278

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Cyanosuccinate de diéthyle [French] [ACD/IUPAC Name]
Butanedioic acid, 2-cyano-, diethyl ester, (2S)- [ACD/Index Name]
Diethyl (2S)-2-cyanosuccinate [ACD/IUPAC Name]
Diethyl-(2S)-2-cyansuccinat [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: 316.0±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.7±3.0 kJ/mol
Flash Point: 137.3±13.9 °C
Index of Refraction: 1.443
Molar Refractivity: 47.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 76 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 39.3±3.0 dyne/cm
Molar Volume: 177.8±3.0 cm3

Click to predict properties on the Chemicalize site


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