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Search term: OIIXRHZKCPKQIV-KTKRTIGZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Azepan-2-ylidene-cyano-acetic acid ethyl ester | C11H16N2O2

Azepan-2-ylidene-cyano-acetic acid ethyl ester

  • Molecular FormulaC11H16N2O2
  • Average mass208.257 Da
  • Monoisotopic mass208.121002 Da
  • ChemSpider ID20061342

  • Double-bond stereo - Double-bond stereo

More details:

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

Azepan-2-ylidene-cyano-acetic acid ethyl ester
ETHYL 2-[(2Z)-AZEPAN-2-YLIDENE]-2-CYANOACETATE

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

Density: 1.1±0.0 g/cm3
Boiling Point: 336.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 58.0±0.0 kJ/mol
Flash Point: 157.5±0.0 °C
Index of Refraction:
Molar Refractivity: 55.5±0.0 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.63
ACD/KOC (pH 5.5): 87.58
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 87.60
Polar Surface Area: 62 Å2
Polarizability: 22.0±0.0 10-24cm3
Surface Tension: 40.5±0.0 dyne/cm
Molar Volume: 192.0±0.0 cm3

Click to predict properties on the Chemicalize site


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