ChemSpider 2D Image | (2aR,3R,4Z,7bR)-4-Ethylidene-3-hydroxy-2a,3,4,6,7,7b-hexahydro-2-oxa-7a-azacyclopenta[cd]inden-1-one | C11H13NO3

(2aR,3R,4Z,7bR)-4-Ethylidene-3-hydroxy-2a,3,4,6,7,7b-hexahydro-2-oxa-7a-azacyclopenta[cd]inden-1-one

  • Molecular FormulaC11H13NO3
  • Average mass207.226 Da
  • Monoisotopic mass207.089539 Da
  • ChemSpider ID29783377

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2aR,3R,4Z,7bR)-4-Ethyliden-3-hydroxy-2a,3,4,6,7,7b-hexahydro-2-oxa-7a-azacyclopenta[cd]inden-1-on [German] [ACD/IUPAC Name]
(2aR,3R,4Z,7bR)-4-Ethylidene-3-hydroxy-2a,3,4,6,7,7b-hexahydro-2-oxa-7a-azacyclopenta[cd]inden-1-one [ACD/IUPAC Name]
(2aR,3R,4Z,7bR)-4-Éthylidène-3-hydroxy-2a,3,4,6,7,7b-hexahydro-2-oxa-7a-azacyclopenta[cd]indén-1-one [French] [ACD/IUPAC Name]
1H-2-Oxa-7a-azacyclopent[cd]inden-1-one, 4-ethylidene-2a,3,4,6,7,7b-hexahydro-3-hydroxy-, (2aR,3R,4Z,7bR)- [ACD/Index Name]
(2R,2aR,2a1R,Z)-1-ethylidene-2-hydroxy-2,2a,5,6-tetrahydro-1H-3-oxa-4a-azacyclopenta[cd]inden-4(2a1H)-one
95119-35-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 490.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.2±6.0 kJ/mol
Flash Point: 250.3±28.7 °C
Index of Refraction: 1.632
Molar Refractivity: 53.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 6.03
ACD/KOC (pH 5.5): 125.89
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 6.03
ACD/KOC (pH 7.4): 125.89
Polar Surface Area: 50 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 57.6±5.0 dyne/cm
Molar Volume: 149.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement